1. mzR
  2. src
  3. RcppRamp.h
Browse code

Remove Ramp backend with dependencies

jorainer authored on 20/09/2021 12:19:56
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src/RcppRamp.h
History View file @e3f79ff5f7
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-#ifndef _mzR_RCPP_RAMP_H
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-#define _mzR_RCPP_RAMP_H
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-
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-#include "Rcpp.h"
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-// Taken from http://tolstoy.newcastle.edu.au/R/e2/devel/06/11/1242.html
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-// and http://stackoverflow.com/questions/11588765/using-rcpp-with-windows-specific-includes
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-// Undefine the Realloc macro, which is defined by both R and by Windows stuff
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-// Also need to undefine the Free macro
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-#if defined(__MINGW32__)
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-#undef Realloc
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-#undef Free
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-#endif
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-
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-#include "cramp.h"
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-
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-#if defined(__MINGW32__)
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-#include <windows.h>
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-#endif
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-
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-class RcppRamp
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-{
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-
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-private:
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-    cRamp *ramp;
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-    Rcpp::List runInfo;
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-    bool isInCacheRunInfo;
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-    Rcpp::List instrumentInfo;
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-    bool isInCacheInstrumentInfo;
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-    Rcpp::DataFrame allScanHeaderInfo;
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-    bool isInCacheAllScanHeaderInfo;
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-    Rcpp::StringVector filename;
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-
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-public:
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-    RcppRamp();          // Constructor
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-    virtual ~RcppRamp(); // Destructor
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-
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-    /**
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-     * Opens a mass spec file (mzXML, mzData, etc.) and creates a cRamp object.
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-     * @param fileName: Name of the msxml file
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-     * @param declaredScansOnly: suppress RAMP's behavior of creating sparse
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-     *        tables to accomodate unlisted scans
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-     */
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-    void open( const char* fileName, bool declaredScansOnly=false );
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-
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-    /**
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-     * Closes the mzXML file. Releases the memory of the cRamp object.
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-     * This function allows memory management from R site.
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-     */
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-    void close();
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-
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-    /**
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-     * Returns the filename.
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-     * @return the filename
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-     */
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-    Rcpp::StringVector getFilename (  );
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-
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-    /**
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-     * Reads the run information from the mzXML header.
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-     * @return rampRunInfo* is parsed to a Rcpp::List
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-     */
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-    Rcpp::List getRunInfo (  );
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-
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-    /**
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-     * Reads the instrument information from the mzXML header.
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-     * @return rampInstrumentInfo* is parsed to a Rcpp::List
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-     */
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-    Rcpp::List getInstrumentInfo();
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-
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-    /**
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-     * Reads the scan header info. It reads for one mass spectrum the
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-     * header information, like ms level, retention time, ion current, ... .
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-     * @return rampScanInfo* is parsed to a Rcpp::List
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-     */
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-    Rcpp::List getScanHeaderInfo ( int whichScan  );
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-
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-    /**
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-     * Reads the scan header info. It reads for all mass spectra the header
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-     * information, like ms level, retention time, ion current, ... .
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-     * @return rampScanInfo* is parsed to a Rcpp::List
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-     */
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-    Rcpp::DataFrame getAllScanHeaderInfo ( );
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-
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-    /**
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-     * This function performs a non-sequential parsing operation on an indexed
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-     * mzXML file to obtain the peak list (i.e. the mass spectrum) for a numbered scan.
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-     * @param whichScan: Number of the scan we want to read from
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-     * @return rampPeakList* is parsed to a Rcpp::List. The first list element
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-     *         contains the number of peaks, the second contains a n x 2 matrix
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-     *         with the peak list.
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-     */
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-    Rcpp::List getPeakList ( int whichScan );
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-
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-    /**
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-     * This function reads all scans and returns them as a matrix. The number of
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-     * rows is equal to the given number of scan numbers. The columns represent
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-     * equidistant m/z values. mzXML file to obtain the peak list (i.e. the mass spectrum)
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-     * for a numbered scan.
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-     * @param whichScan: The scan numbers we want to read from.
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-     * @param whichMzLow: The lowest m/z value to be returned.
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-     * @param whichMzHigh: The highest m/z value to be returned.
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-     * @param resMz: The resolution in m/z direction.
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-     * @return The matrix is given back as a Rcpp::NumericMatrix.
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-     */
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-    Rcpp::NumericMatrix
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-    get3DMap ( std::vector<int> scanNumbers,
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-               double whichMzLow,
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-               double whichMzHigh,
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-               double resMz );
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-
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-    /**
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-     * Getting for the last scan number (not necessarily the number of scans
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-     * because of missing scans).
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-     */
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-    int getLastScan() const;
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-
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-    /**
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-     * checks the status of the object.
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-     */
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-    bool OK();
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-};
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-
122 
-#endif
Browse code

Commit made by the Bioconductor Git-SVN bridge. Consists of 130 commits.

Commit information:

Commit id: 289dc240065888efcaa22ae75951e81f94fc800f

Fix package description after merge

Committed by: Steffen Neumann
Author Name: Steffen Neumann
Commit date: 2014-09-28 17:21:35 +0200
Author date: 2014-09-28 17:21:35 +0200

Commit id: 88248e8d6d86bb54dc260f0c55608dd1a949ade4

merged gsoc into master

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-27 08:49:45 +0100
Author date: 2014-09-27 08:49:45 +0100

Commit id: bb01e0fe0b4f04335925472a7c2b91bd22b57755

included KK's segfault patch and fixed unit test accordingly

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-27 08:44:50 +0100
Author date: 2014-09-27 08:44:50 +0100

Commit id: 708bd0b8ac4b2b5bae9a9b91588a260f2eeefb46

add message about pwiz backend in Bioc 3.1

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-25 01:20:52 +0100
Author date: 2014-09-25 01:20:52 +0100

Commit id: 4c1410ec3c8f153ad0a4b04722cad5a7d77cfd4c

restoring ramp as default backend

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-25 01:06:21 +0100
Author date: 2014-09-25 01:06:21 +0100

Commit id: c5d60529934813456555934bbeed29502100b41b

show pwiz method

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 21:09:38 +0100
Author date: 2014-09-21 21:09:38 +0100

Commit id: 20bfbfa1db25ec247f2313804d9b73c086a2d920

add close,mzRpwiz-method alias

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 21:04:48 +0100
Author date: 2014-09-21 21:04:48 +0100

Commit id: f80ecdc2a7f14c311b42ad279c62307a6e0aad30

test that close(pwiz) works

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 20:45:50 +0100
Author date: 2014-09-21 20:45:50 +0100

Commit id: d18dc8b0c7197c72b1bb2a70e7becfe983ced9a1

fixed signature for pwiz close method

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 20:44:41 +0100
Author date: 2014-09-21 20:44:41 +0100

Commit id: c0d7451e6b31068cde89f08ac5037a1509857cc5

fix codoc mismatch

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 19:02:00 +0100
Author date: 2014-09-21 19:02:00 +0100

Commit id: 14974a3d0890a7e2a1a7179aaa483e20a5700ef9

add close for pwiz backend to news

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 18:58:06 +0100
Author date: 2014-09-21 18:58:06 +0100

Commit id: c9d2bbb339c0ecdc9870dbd7a59bfbb94ef67f73

dummy close for pwiz backend

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 18:56:48 +0100
Author date: 2014-09-21 18:56:48 +0100

Commit id: 6d608b453328d6c751dc828d2586b016eb17b095

more close calls to remove for pwiz backend

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 18:52:55 +0100
Author date: 2014-09-21 18:52:55 +0100

Commit id: 5650801e07df64e2d74302ec98a31938bb62f11f

no isInitialised with pwiz

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 18:41:57 +0100
Author date: 2014-09-21 18:41:57 +0100

Commit id: 2a3d0eeb24673eb74c3ffa38fefb1883f9bee15d

no close with pwiz

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 17:46:38 +0100
Author date: 2014-09-21 17:46:38 +0100

Commit id: b3ae014569b6e46ccb6b396dfb9320dd7ba8fb16

bump version to avoid confusions

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 17:30:28 +0100
Author date: 2014-09-21 17:30:28 +0100

Commit id: a1bd596ffbeef73b4b505342f45742f9997e33d1

using pwiz as default raw data backend

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-21 17:29:02 +0100
Author date: 2014-09-21 17:29:02 +0100

Commit id: 51b4ea21d9cf034d54b0911bf281af3a937375de

Steffen's changes in v 1.11.11

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-20 16:21:14 +0100
Author date: 2014-09-20 16:21:14 +0100

Commit id: 81cde1ca48974585c9d6f51927087a922b13dd89

add new length to doc header

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-20 16:06:46 +0100
Author date: 2014-09-20 16:06:46 +0100

Commit id: 3fe883cb7ecad4867908fb907374a4df63b50a1f

show and length mzRident methods

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-09-20 15:56:26 +0100
Author date: 2014-09-20 15:56:26 +0100

Commit id: 3efb44e00fb94cdf0eb8207634218cbb47ab1b54

VignetteBuilder: knitr

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-08-27 01:03:36 +0100
Author date: 2014-08-27 01:03:36 +0100

Commit id: 73b0f902dfaa53f359318708f0606dc1f4677057

BiocStyle vig

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-08-26 23:59:29 +0100
Author date: 2014-08-26 23:59:29 +0100

Commit id: 185f281d07ed7b4a7f093eaf7b61271a88c85e20

update readme

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-08-26 23:20:02 +0100
Author date: 2014-08-26 23:20:02 +0100

Commit id: d5cc992e128594d331592b2bd57871fabf6737c9

update to build

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-08-17 22:41:17 +0100
Author date: 2014-08-17 22:41:17 +0100

Commit id: 27318416c94859102a061838a1a3f83d378414e3

bump to 1.99

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-08-17 22:12:44 +0100
Author date: 2014-08-17 22:12:44 +0100

Commit id: 13caefb4d4b469f0406ed96509ea4cebce8235b0

pulled from https://github.com/thirdwing/mzR

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-08-17 22:00:57 +0100
Author date: 2014-08-17 22:00:57 +0100

Commit id: 14822efb6c2238eda371718043bec9cc8fb27558

doc

Committed by: qkou
Author Name: qkou
Commit date: 2014-08-16 22:06:51 -0400
Author date: 2014-08-16 22:06:51 -0400

Commit id: 323424443efac769c436fb87128fad64a0358187

R_init_mzR.c

Committed by: qkou
Author Name: qkou
Commit date: 2014-08-10 00:46:14 -0400
Author date: 2014-08-10 00:46:14 -0400

Commit id: a91c0601e674efbb6949331a53ea9c6af53a4ba5

vignettes

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-06 21:03:23 -0400
Author date: 2014-08-06 21:03:23 -0400

Commit id: 4607e0a595f60a083d1eb90b804348ac5a8c1fb4

update with msdata

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-05 12:33:40 -0400
Author date: 2014-08-05 12:33:40 -0400

Commit id: cc09a790eda22b7d64226116ada89bad9089e0b2

modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-04 22:29:15 -0400
Author date: 2014-08-04 22:29:15 -0400

Commit id: fac511ee0f7841791bbf5380f2c948fd045b3adb

unit test against mzID

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-04 22:16:03 -0400
Author date: 2014-08-04 22:16:03 -0400

Commit id: 449952e31fe354b2589d8a723a4f8a842812ede6

enzymes() returns data.frame

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-03 16:29:59 -0400
Author date: 2014-08-03 16:29:59 -0400

Commit id: 874fba33e8029023d5e3bbd168dc998d51544c9d

writing support dropped

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-03 16:14:26 -0400
Author date: 2014-08-03 16:14:26 -0400

Commit id: 338f3e80dd8f98419555ab1a4aa443e14d089f24

modifications()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-03 16:02:20 -0400
Author date: 2014-08-03 16:02:20 -0400

Commit id: 34ee62ee27e7b012b9ce2bd696d63e5f80185200

psms() update

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-03 15:41:36 -0400
Author date: 2014-08-03 15:41:36 -0400

Commit id: b8bdea9a1e2a7ab3410eea5c26566ef74e488d95

score()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-03 14:14:53 -0400
Author date: 2014-08-03 14:14:53 -0400

Commit id: a42f1195b3f0b40c28aa2acfb782e517633206c9

psms()

Committed by: qkou
Author Name: qkou
Commit date: 2014-08-03 13:54:34 -0400
Author date: 2014-08-03 13:54:34 -0400

Commit id: 6c2a87019e3b328dbecc1a965d3e41e6539e0d90

para() update, numeric correction

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-08-02 23:57:41 -0400
Author date: 2014-08-02 23:57:41 -0400

Commit id: 119edf40600beb8e3b8e8006a0d955a887d06b1d

update para()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-30 10:54:40 -0400
Author date: 2014-07-30 10:54:40 -0400

Commit id: 69ac718d0418f2ab3ba824a735975ae6c04aec00

update database()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-30 10:38:42 -0400
Author date: 2014-07-30 10:38:42 -0400

Commit id: f7818556b2e1e3296a727eca6d2853a8b7a16b12

clean

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-29 21:35:59 -0400
Author date: 2014-07-29 21:35:59 -0400

Commit id: f67403a92b6beca4128c36b42367414463234253

database()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-29 21:33:07 -0400
Author date: 2014-07-29 21:33:07 -0400

Commit id: 8b0255a9c7da6ccc6c7796f49f608b792bac0dfe

para()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-29 20:33:14 -0400
Author date: 2014-07-29 20:33:14 -0400

Commit id: 183afed91ad6beb07fffb5cbe4673773619d938b

Rd

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-29 00:36:40 -0400
Author date: 2014-07-29 00:36:40 -0400

Commit id: 73d380115e205eedc211869d6eace3564b3fc1cf

modified: vignettes/mzR.Rnw

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-27 00:49:10 -0400
Author date: 2014-07-27 00:49:10 -0400

Commit id: 93214634ff41a9da84019320dfe6314cb7f94422

score

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-26 19:42:34 -0400
Author date: 2014-07-26 19:42:34 -0400

Commit id: cbdee47033cf10927b0dc33a02208c9ff9d89771

same header info

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-22 12:45:46 -0400
Author date: 2014-07-22 12:45:46 -0400

Commit id: 1e6ebe39851ecddedf01daa2c69fcd1f2dba906c

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRident.R modified: inst/unitTests/runit.backends.R modified: man/metadata.Rd modified: man/mzR-class.Rd

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-18 00:40:10 -0400
Author date: 2014-07-18 00:40:10 -0400

Commit id: 0ed92085be5af56a78cdf0f1732a356c48d7a0f9

1.11.10

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-17 21:31:27 -0400
Author date: 2014-07-17 21:31:27 -0400

Commit id: b6e254b2cca93778bfcdc549b75052d0b19bb2bb

fixed

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-16 01:40:10 -0400
Author date: 2014-07-16 01:40:10 -0400

Commit id: 096aa2a6f5aebb5b99bc2e22a0fb023b1353b141

Merge pull request #3 from lgatto/master

fix backend checking
Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-07-15 21:20:15 -0400
Author date: 2014-07-15 21:20:15 -0400

Commit id: 6d8623c47c0b53e6805b9757c178c4639319a29d

fix backend checking

Committed by: Laurent
Author Name: Laurent
Commit date: 2014-07-15 23:32:46 +0100
Author date: 2014-07-15 23:32:46 +0100

Commit id: 9060e3435a76ace952d915c3bb993e04ac93f12a

modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-14 10:52:41 -0400
Author date: 2014-07-14 10:52:41 -0400

Commit id: 068ec46671400a2db3bfb10f001f30599b8495e8

modified: ChangeLog

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-12 17:29:16 -0400
Author date: 2014-07-12 17:29:16 -0400

Commit id: a8f42c9de00ed64470733eb5c63567e99d40e867

more info

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-12 14:57:33 -0400
Author date: 2014-07-12 14:57:33 -0400

Commit id: 4a88ad7c2c8ec911c44a45d16dedced9530505c2

modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-12 14:13:29 -0400
Author date: 2014-07-12 14:13:29 -0400

Commit id: 935d44c5a52b895fe6ff663c062e006e4f25fab0

modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-12 13:52:33 -0400
Author date: 2014-07-12 13:52:33 -0400

Commit id: f1c05ff287215f385938a116042d09bcea2aae88

modified: R/methods-mzRident.R modified: man/mzR-class.Rd modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-12 11:20:58 -0400
Author date: 2014-07-12 11:20:58 -0400

Commit id: ca620536203355349c7267ad15a2ab6a2d248319

pass R CMD check

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-12 00:36:08 -0400
Author date: 2014-07-12 00:36:08 -0400

Commit id: add1d1c98fe60955953036641671527337e89363

modified: R/methods-mzRident.R modified: man/metadata.Rd modified: man/mzR-class.Rd modified: src/Makevars modified: src/Makevars.win

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-11 23:48:02 -0400
Author date: 2014-07-11 23:48:02 -0400

Commit id: 050051489df378a26aa97cccfefbf7ebe4102ef5

pepInfo()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-11 18:10:10 -0400
Author date: 2014-07-11 18:10:10 -0400

Commit id: f093e39599ea2357c91816b7ff9de102f33e8e68

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRident.R modified: src/RcppIdent.cpp modified: src/RcppIdent.h modified: src/RcppIdentModule.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-11 15:12:28 -0400
Author date: 2014-07-11 15:12:28 -0400

Commit id: 3dc85db859c4d36040d3edb9ceb57074b0476f2d

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRident.R modified: src/RcppIdent.cpp modified: src/RcppIdent.h modified: src/RcppIdentModule.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-11 14:49:47 -0400
Author date: 2014-07-11 14:49:47 -0400

Commit id: ab1261cb3bfe1c02de5f7a053e6de5223686488d

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRident.R modified: src/RcppIdent.cpp modified: src/RcppIdent.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-11 13:47:12 -0400
Author date: 2014-07-11 13:47:12 -0400

Commit id: 01a4a2be981724624719580cd8e4f0866091f295

version

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-11 01:48:50 -0400
Author date: 2014-07-11 01:48:50 -0400

Commit id: 5f49d13b736cebd65484a5993cdcce253853d4e7

remove mz5

Committed by: qkou
Author Name: qkou
Commit date: 2014-07-11 01:41:00 -0400
Author date: 2014-07-11 01:41:00 -0400

Commit id: fb3dbe2f1bf007cd033fd803426d4be2e362b3e2

Update H5public.h

Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-07-07 08:46:19 -0400
Author date: 2014-07-07 08:46:19 -0400

Commit id: 2446f08fdadd11c38a1cb54dddfe1e52b1a7bca9

modified: src/pwiz/utility/chemistry/Chemistry.hpp modified: src/pwiz/utility/misc/Std.hpp modified: src/pwiz/utility/misc/sha1calc.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-04 19:41:41 -0400
Author date: 2014-07-04 19:41:41 -0400

Commit id: b7c28c0db06b2dc9f8f5a7dcd218b7581ffd8121

compiled

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-04 18:05:54 -0400
Author date: 2014-07-04 18:05:54 -0400

Commit id: 1ffe5c024dafd51c2342f4d1dd930cb8d67d8041

modified: DESCRIPTION modified: src/Makevars.win

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-04 10:09:46 -0400
Author date: 2014-07-04 10:09:46 -0400

Commit id: 06e03716f187508072c33d3f0e9e79e135b22c05

modified: src/Makevars modified: src/hdf5/src/H5public.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-03 22:32:09 -0400
Author date: 2014-07-03 22:32:09 -0400

Commit id: 488ed2bd55151ece46c8cb5ac1df11f73b7c47a3

modified: src/Makevars

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-03 21:48:39 -0400
Author date: 2014-07-03 21:48:39 -0400

Commit id: 06f4d0a3832e47ad4a69e53d7b9b751dbb9f2770

modified: src/hdf5/src/H5public.h modified: src/pwiz/utility/misc/SHA1.cpp modified: src/pwiz/utility/misc/SHA1.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-07-03 21:47:50 -0400
Author date: 2014-07-03 21:47:50 -0400

Commit id: ff58989379a67f20ac8797ba437d430d8b5a2d62

modified: src/RcppIdent.cpp

Committed by: qkou
Author Name: qkou
Commit date: 2014-06-30 09:42:05 -0400
Author date: 2014-06-30 09:42:05 -0400

Commit id: 58dfa68675768c13950299c43229c1b0f1f1824b

modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 21:17:18 -0400
Author date: 2014-06-28 21:17:18 -0400

Commit id: 6c228ae30c477e76add7e3ea805e386f1a0d862d

modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 20:16:55 -0400
Author date: 2014-06-28 20:16:55 -0400

Commit id: 464d4e83a9e06732f7c3f1a0172a9cb2bbd53943

modified: src/RcppIdent.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 17:21:01 -0400
Author date: 2014-06-28 17:21:01 -0400

Commit id: ed36541a5fc99192f9df55222f2a2d9a6352ae33

idInfo

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 17:02:20 -0400
Author date: 2014-06-28 17:02:20 -0400

Commit id: 1ed6dceee93d2f57a66a94b15774212403d42200

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRident.R modified: src/RcppIdent.cpp modified: src/RcppIdent.h modified: src/RcppIdentModule.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 15:19:47 -0400
Author date: 2014-06-28 15:19:47 -0400

Commit id: 47b2a99876650729a329ebeebc174d9873919667

modified: DESCRIPTION

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 13:12:13 -0400
Author date: 2014-06-28 13:12:13 -0400

Commit id: ecad541c1e2d92f7be63433c5bf362d7b7f955b2

mzid supported done

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-28 13:04:27 -0400
Author date: 2014-06-28 13:04:27 -0400

Commit id: 684340ce7ee5b8fadbd4dfa839e3b0d7ba9b1c91

mzid file support

Committed by: kouqiang
Author Name: kouqiang
Commit date: 2014-06-28 01:02:19 -0400
Author date: 2014-06-28 01:02:19 -0400

Commit id: 7382b1321539a2838ae75da6f9c1ff9cbe98bb6b

mzid

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-27 23:38:36 -0400
Author date: 2014-06-27 23:38:36 -0400

Commit id: 5423b4c653762d90ce6d4bf7dcf1d591a2a9987f

modified: R/methods-mzRpwiz.R modified: R/zzz.R modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-27 23:27:36 -0400
Author date: 2014-06-27 23:27:36 -0400

Commit id: 9e20328e920207328eb68b9fa59c198d0d634a0f

Update AllGenerics.R

Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-06-27 22:52:37 -0400
Author date: 2014-06-27 22:52:37 -0400

Commit id: 19731b9e51b72027eb02ee6be5aa7343c5b12ace

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRpwiz.R modified: man/metadata.Rd modified: man/mzR-class.Rd modified: man/openMSfile.Rd modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h modified: src/RcppPwizModule.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-27 22:03:31 -0400
Author date: 2014-06-27 22:03:31 -0400

Commit id: 94ac2b4ba810d0f820a9266be782667e375ede9a

modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-27 10:15:58 -0400
Author date: 2014-06-27 10:15:58 -0400

Commit id: 1259a8db48d4f7aa9ffe403dd5ee574bbfd238fb

modified: R/zzz.R modified: src/RcppPwiz.cpp

Committed by: kouqiang
Author Name: kouqiang
Commit date: 2014-06-27 00:44:31 -0400
Author date: 2014-06-27 00:44:31 -0400

Commit id: 9791bc574989cdefe279071dbf3a47232e1d8c86

identadata src

Committed by: kouqiang
Author Name: kouqiang
Commit date: 2014-06-27 00:22:35 -0400
Author date: 2014-06-27 00:22:35 -0400

Commit id: ede49e01e23c6586777d72fdd0dfef4bd40729f2

software info

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 22:20:57 -0400
Author date: 2014-06-26 22:20:57 -0400

Commit id: 431b2b42a93ff52a05d82801d1830ba81c72f18f

writeMSfile()

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 21:53:11 -0400
Author date: 2014-06-26 21:53:11 -0400

Commit id: 53a7a31378bd42adcf779cd1fbe9e2d052a507d7

deleted: src/hdf5/c++/src/H5 deleted: src/hdf5/c++/src/H5DataTy deleted: src/pwiz/data/common/BinaryIndexSt deleted: src/pwiz/data/common/ParamT deleted: src/pwiz/data/m deleted: src/pwiz/data/msdata/BinaryDataEnc deleted: src/pwiz/data/msdata/Chroma deleted: src/pwiz/data/msdata/MSNu deleted: src/pwiz/data/msdata/Seri deleted: src/pwiz/data/msdata/Serializer deleted: src/pwiz/data/msdata/Serializer_mz deleted: src/pwiz/data/msdata/Sp deleted: src/pwiz/data/msdata/Spec deleted: src/pwiz/data/msdata/mz5/Refer deleted: src/pwiz/utility/mis deleted: src/pwiz/utility/misc/IntegerS

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 19:04:22 -0400
Author date: 2014-06-26 19:04:22 -0400

Commit id: 359a40045162a49d94d68f0d60f2c6bb43970a2c

modified: NAMESPACE modified: R/AllGenerics.R modified: R/io.R modified: R/methods-mzRpwiz.R modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h modified: src/RcppPwizModule.cpp new file: src/boost/filesystem/src/operations new file: src/hdf5/c++/src/H5 new file: src/hdf5/c++/src/H5DataTy new file: src/pwiz/data/common/BinaryIndexSt new file: src/pwiz/data/common/ParamT new file: src/pwiz/data/m new file: src/pwiz/data/msdata/BinaryDataEnc new file: src/pwiz/data/msdata/Chroma new file: src/pwiz/data/msdata/MSNu new file: src/pwiz/data/msdata/Seri new file: src/pwiz/data/msdata/Serializer new file: src/pwiz/data/msdata/Serializer_mz new file: src/pwiz/data/msdata/Sp new file: src/pwiz/data/msdata/Spec new file: src/pwiz/data/msdata/mz5/Refer new file: src/pwiz/utility/mis new file: src/pwiz/utility/misc/IntegerS

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 19:00:48 -0400
Author date: 2014-06-26 19:00:48 -0400

Commit id: 2ce04488e7a8e623a7dfd2b9408da0b9dd5059a4

modified: inst/unitTests/runit.backends.R modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 15:59:21 -0400
Author date: 2014-06-26 15:59:21 -0400

Commit id: 3103fd4fa92ddd63700c8b5940344db44e97be09

modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 13:33:44 -0400
Author date: 2014-06-26 13:33:44 -0400

Commit id: 329f7c1201360f5ebf5703d4837b25ae332e7a85

modified: man/metadata.Rd modified: man/mzR-class.Rd modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 11:35:13 -0400
Author date: 2014-06-26 11:35:13 -0400

Commit id: 0adf852da9ccec69103038ca96b30e8715d3c898

modified: inst/unitTests/runit.backends.R modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-26 11:20:03 -0400
Author date: 2014-06-26 11:20:03 -0400

Commit id: 219b5287ca5531577b4a6c80f403957ddef5ab94

modified: src/RcppPwiz.cpp

Committed by: kouqiang
Author Name: kouqiang
Commit date: 2014-06-26 01:33:43 -0400
Author date: 2014-06-26 01:33:43 -0400

Commit id: 14316dcb1c16ca922d9962ed9ecdaac324e1a151

deleted: src/R_init_mzR.c modified: src/RcppPwiz.cpp deleted: src/ramp_base64.cpp deleted: src/ramp_base64.h

Committed by: kouqiang
Author Name: kouqiang
Commit date: 2014-06-26 01:04:14 -0400
Author date: 2014-06-26 01:04:14 -0400

Commit id: efb21501a1b05b680b3d35aa124216f9977b5993

modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-25 23:44:07 -0400
Author date: 2014-06-25 23:44:07 -0400

Commit id: 4e9e1dec2879178547d681603aec46259a6a9978

mz5

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-25 22:54:26 -0400
Author date: 2014-06-25 22:54:26 -0400

Commit id: 0e7fc23b1ff7508fed6331c0e517a8dc6fa33a0c

mz5

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-25 22:28:24 -0400
Author date: 2014-06-25 22:28:24 -0400

Commit id: 9ad55a2cdd89791bf75ad23f0ee91b3fc70624ad

mz5

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-25 22:13:35 -0400
Author date: 2014-06-25 22:13:35 -0400

Commit id: c9fecd83ebf31f142c22030f4593fe5ac675323a

modified: R/methods-mzRpwiz.R modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-24 23:31:33 -0400
Author date: 2014-06-24 23:31:33 -0400

Commit id: 4edf517724950d6771fd19c979a460711baa5891

modified: R/methods-mzRpwiz.R modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-24 23:01:49 -0400
Author date: 2014-06-24 23:01:49 -0400

Commit id: 22ca998b6b6d3a7496f293f44909436a5b7d8ad0

modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-24 21:31:58 -0400
Author date: 2014-06-24 21:31:58 -0400

Commit id: 6beb4ce5c49cafa644766e23453ed6d10bb89c34

modified: man/metadata.Rd modified: man/mzR-class.Rd

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-22 12:02:07 -0400
Author date: 2014-06-22 12:02:07 -0400

Commit id: dc5e65d93bb67d1b4a1488b90099946e22eed13c

deleted: .travis.yml

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-22 11:26:02 -0400
Author date: 2014-06-22 11:26:02 -0400

Commit id: be53359804d6c7416c715c3eb259fb931c6c117a

modified: .travis.yml modified: src/Makevars.win

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-21 21:33:37 -0400
Author date: 2014-06-21 21:33:37 -0400

Commit id: 1afd9887dac232f3e72fe9d20d44a72b42e28461

deleted: .Rinstignore

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-21 21:27:46 -0400
Author date: 2014-06-21 21:27:46 -0400

Commit id: bd4c954bd246787137eb0d961a91bb80b774cb6a

new file: .Rbuildignore new file: .travis.yml

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-21 21:25:47 -0400
Author date: 2014-06-21 21:25:47 -0400

Commit id: 3bc8fcca8002a62458a2b2dd1c6b7cf6a8cfab9f

fixed error on windows and snow leopard

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-21 21:18:50 -0400
Author date: 2014-06-21 21:18:50 -0400

Commit id: ed9c622443eb992cf3322d687312e3f56bf8be72

Update Makevars.win

Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-06-15 00:55:16 +0800
Author date: 2014-06-15 00:55:16 +0800

Commit id: bf8c7bd931cd93b5db6d84c9c1bf323ea7702e74

new file: src/boost/signals/connection.hpp new file: src/boost/signals/detail/config.hpp new file: src/boost/signals/detail/gen_signal_N.pl new file: src/boost/signals/detail/named_slot_map.hpp new file: src/boost/signals/detail/signal_base.hpp new file: src/boost/signals/detail/signals_common.hpp new file: src/boost/signals/detail/slot_call_iterator.hpp new file: src/boost/signals/signal0.hpp new file: src/boost/signals/signal1.hpp new file: src/boost/signals/signal10.hpp new file: src/boost/signals/signal2.hpp new file: src/boost/signals/signal3.hpp new file: src/boost/signals/signal4.hpp new file: src/boost/signals/signal5.hpp new file: src/boost/signals/signal6.hpp new file: src/boost/signals/signal7.hpp new file: src/boost/signals/signal8.hpp new file: src/boost/signals/signal9.hpp new file: src/boost/signals/signal_template.hpp new file: src/boost/signals/slot.hpp new file: src/boost/signals/trackable.hpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-14 12:52:52 -0400
Author date: 2014-06-14 12:52:52 -0400

Commit id: 5ac3655c7e81f429859eb6b509208f8ec785e1f9

modified: src/Makevars.win

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-07 11:42:14 -0400
Author date: 2014-06-07 11:42:14 -0400

Commit id: f9f42e3d83adbaf98a201e50866821bc0e43598a

modified: ChangeLog modified: src/RcppPwiz.cpp modified: src/hdf5/src/H5FDmulti.c

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-07 11:24:01 -0400
Author date: 2014-06-07 11:24:01 -0400

Commit id: d8d6f92e46efa93f8234e542b1c4f8f98cee59e5

modified: R/zzz.R.in

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-06 17:28:36 -0400
Author date: 2014-06-06 17:28:36 -0400

Commit id: e64a8bb7bb7988047466848e5b449038ae9460b3

modified: R/zzz.R modified: src/Makevars

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-06 16:40:29 -0400
Author date: 2014-06-06 16:40:29 -0400

Commit id: 0a44cc02ea9b5417ac51f60632fc1b6100c6d160

modified: src/Makevars

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-06 16:01:08 -0400
Author date: 2014-06-06 16:01:08 -0400

Commit id: 4d19d457031e0ae9af343a44774f5deebae01cc8

modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-06 14:16:37 -0400
Author date: 2014-06-06 14:16:37 -0400

Commit id: effcb581a573e13b7b7cc9b459ef2dec4885b4be

modified: src/RcppPwiz.cpp

Committed by: kouqiang
Author Name: kouqiang
Commit date: 2014-06-06 04:33:43 -0400
Author date: 2014-06-06 04:33:43 -0400

Commit id: 028f6748d4cf81d47569edcd67fe25064b084e60

modified: NAMESPACE modified: R/AllGenerics.R modified: R/methods-mzRpwiz.R modified: src/RcppPwiz.cpp

Committed by: thirdwing
Author Name: thirdwing
Commit date: 2014-06-04 23:21:43 -0400
Author date: 2014-06-04 23:21:43 -0400

Commit id: d95b557d2c637630ca784889cd0ef1f56b8423d5

Update methods-mzRpwiz.R

Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-06-04 21:51:47 -0400
Author date: 2014-06-04 21:51:47 -0400

Commit id: aad52653c2ceb33655364d5a39c0559225746cfb

Update RcppPwizModule.cpp

Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-06-04 21:50:32 -0400
Author date: 2014-06-04 21:50:32 -0400

Commit id: 4fda90cc08feb731aeb65c6015a033fbe46c372e

Update RcppPwiz.cpp

Committed by: Qiang Kou
Author Name: Qiang Kou
Commit date: 2014-06-04 21:48:06 -0400
Author date: 2014-06-04 21:48:06 -0400

Commit id: 660d2e984fabdd20997ff8b648d361c7d9aae711

modified: src/RcppPwiz.cpp modified: src/RcppPwiz.h

Committed by: qkou
Author Name: qkou
Commit date: 2014-06-02 13:07:57 -0400
Author date: 2014-06-02 13:07:57 -0400

Commit id: ec6bbdf496a57f2f39b2e4c3bbada75a060e5bbe

modified: src/boost_aux/boost/utility/singleton.hpp

Committed by: qkou
Author Name: qkou
Commit date: 2014-06-02 09:21:07 -0400
Author date: 2014-06-02 09:21:07 -0400

Commit id: a093954cb779467026288c7f51cca083e0a20661

modified: src/pwiz/data/msdata/ramp/ramp.cpp

Committed by: qkou
Author Name: qkou
Commit date: 2014-05-29 07:36:21 -0400
Author date: 2014-05-29 07:36:21 -0400

Commit id: 4510a1cda50ee8f1f43b667297918dcffed45af2

modified: src/Makevars modified: src/cramp.h modified: src/pwiz/data/msdata/ramp/ramp.cpp deleted: src/ramp.cpp deleted: src/ramp.h modified: src/rampR.cpp deleted: src/ramp_base64.cpp deleted: src/ramp_base64.h

Committed by: qkou
Author Name: qkou
Commit date: 2014-05-28 20:17:42 -0400
Author date: 2014-05-28 20:17:42 -0400


git-svn-id: https://hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/mzR@94635 bc3139a8-67e5-0310-9ffc-ced21a209358

s.neumann authored on 28/09/2014 18:06:01
Showing1 changed files
src/RcppRamp.h
History View file @84a4b1664f
... ... 
@@ -17,105 +17,106 @@
17 17 
 #include <windows.h>
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 #endif
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-class RcppRamp {
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+class RcppRamp
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+{
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 private:
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-  cRamp *ramp;
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-  Rcpp::List runInfo;
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-  bool isInCacheRunInfo;
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-  Rcpp::List instrumentInfo;
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-  bool isInCacheInstrumentInfo;
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-  Rcpp::DataFrame allScanHeaderInfo;
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-  bool isInCacheAllScanHeaderInfo;
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-  Rcpp::StringVector filename;
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-
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-public:
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-  RcppRamp();          // Constructor
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-  virtual ~RcppRamp(); // Destructor
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-
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-  /**
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-   * Opens a mass spec file (mzXML, mzData, etc.) and creates a cRamp object.
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-   * @param fileName: Name of the msxml file
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-   * @param declaredScansOnly: suppress RAMP's behavior of creating sparse
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-   *        tables to accomodate unlisted scans
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-   */
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-  void open( const char* fileName, bool declaredScansOnly=false );
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-
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-  /**
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-   * Closes the mzXML file. Releases the memory of the cRamp object.
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-   * This function allows memory management from R site.
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-   */
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-  void close();
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-
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-  /**
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-   * Returns the filename.
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-   * @return the filename
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-   */
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-  Rcpp::StringVector getFilename (  );
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-
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-  /**
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-   * Reads the run information from the mzXML header.
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-   * @return rampRunInfo* is parsed to a Rcpp::List
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-   */
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-  Rcpp::List getRunInfo (  );
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-
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-  /**
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-   * Reads the instrument information from the mzXML header.
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-   * @return rampInstrumentInfo* is parsed to a Rcpp::List
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-   */
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-  Rcpp::List getInstrumentInfo();
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-
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-  /**
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-   * Reads the scan header info. It reads for one mass spectrum the
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-   * header information, like ms level, retention time, ion current, ... .
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-   * @return rampScanInfo* is parsed to a Rcpp::List
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-   */
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-  Rcpp::List getScanHeaderInfo ( int whichScan  );
74 
-
75 
-  /**
76 
-   * Reads the scan header info. It reads for all mass spectra the header
77 
-   * information, like ms level, retention time, ion current, ... .
78 
-   * @return rampScanInfo* is parsed to a Rcpp::List
79 
-   */
80 
-  Rcpp::DataFrame getAllScanHeaderInfo ( );
81 
-
82 
-  /**
83 
-   * This function performs a non-sequential parsing operation on an indexed
84 
-   * mzXML file to obtain the peak list (i.e. the mass spectrum) for a numbered scan.
85 
-   * @param whichScan: Number of the scan we want to read from
86 
-   * @return rampPeakList* is parsed to a Rcpp::List. The first list element
87 
-   *         contains the number of peaks, the second contains a n x 2 matrix
88 
-   *         with the peak list.
89 
-   */
90 
-  Rcpp::List getPeakList ( int whichScan );
91 
-
92 
-  /**
93 
-   * This function reads all scans and returns them as a matrix. The number of
94 
-   * rows is equal to the given number of scan numbers. The columns represent
95 
-   * equidistant m/z values. mzXML file to obtain the peak list (i.e. the mass spectrum)
96 
-   * for a numbered scan.
97 
-   * @param whichScan: The scan numbers we want to read from.
98 
-   * @param whichMzLow: The lowest m/z value to be returned.
99 
-   * @param whichMzHigh: The highest m/z value to be returned.
100 
-   * @param resMz: The resolution in m/z direction.
101 
-   * @return The matrix is given back as a Rcpp::NumericMatrix.
102 
-   */
103 
-  Rcpp::NumericMatrix
104 
-  get3DMap ( std::vector<int> scanNumbers,
105 
-	     double whichMzLow,
106 
-	     double whichMzHigh,
107 
-	     double resMz );
108 
-
109 
-  /**
110 
-   * Getting for the last scan number (not necessarily the number of scans
111 
-   * because of missing scans).
112 
-   */
113 
-  int getLastScan() const;
114 
-
115 
-  /**
116 
-   * checks the status of the object.
117 
-   */
118 
-  bool OK();
24 
+    cRamp *ramp;
25 
+    Rcpp::List runInfo;
26 
+    bool isInCacheRunInfo;
27 
+    Rcpp::List instrumentInfo;
28 
+    bool isInCacheInstrumentInfo;
29 
+    Rcpp::DataFrame allScanHeaderInfo;
30 
+    bool isInCacheAllScanHeaderInfo;
31 
+    Rcpp::StringVector filename;
32 
+
33 
+public:
34 
+    RcppRamp();          // Constructor
35 
+    virtual ~RcppRamp(); // Destructor
36 
+
37 
+    /**
38 
+     * Opens a mass spec file (mzXML, mzData, etc.) and creates a cRamp object.
39 
+     * @param fileName: Name of the msxml file
40 
+     * @param declaredScansOnly: suppress RAMP's behavior of creating sparse
41 
+     *        tables to accomodate unlisted scans
42 
+     */
43 
+    void open( const char* fileName, bool declaredScansOnly=false );
44 
+
45 
+    /**
46 
+     * Closes the mzXML file. Releases the memory of the cRamp object.
47 
+     * This function allows memory management from R site.
48 
+     */
49 
+    void close();
50 
+
51 
+    /**
52 
+     * Returns the filename.
53 
+     * @return the filename
54 
+     */
55 
+    Rcpp::StringVector getFilename (  );
56 
+
57 
+    /**
58 
+     * Reads the run information from the mzXML header.
59 
+     * @return rampRunInfo* is parsed to a Rcpp::List
60 
+     */
61 
+    Rcpp::List getRunInfo (  );
62 
+
63 
+    /**
64 
+     * Reads the instrument information from the mzXML header.
65 
+     * @return rampInstrumentInfo* is parsed to a Rcpp::List
66 
+     */
67 
+    Rcpp::List getInstrumentInfo();
68 
+
69 
+    /**
70 
+     * Reads the scan header info. It reads for one mass spectrum the
71 
+     * header information, like ms level, retention time, ion current, ... .
72 
+     * @return rampScanInfo* is parsed to a Rcpp::List
73 
+     */
74 
+    Rcpp::List getScanHeaderInfo ( int whichScan  );
75 
+
76 
+    /**
77 
+     * Reads the scan header info. It reads for all mass spectra the header
78 
+     * information, like ms level, retention time, ion current, ... .
79 
+     * @return rampScanInfo* is parsed to a Rcpp::List
80 
+     */
81 
+    Rcpp::DataFrame getAllScanHeaderInfo ( );
82 
+
83 
+    /**
84 
+     * This function performs a non-sequential parsing operation on an indexed
85 
+     * mzXML file to obtain the peak list (i.e. the mass spectrum) for a numbered scan.
86 
+     * @param whichScan: Number of the scan we want to read from
87 
+     * @return rampPeakList* is parsed to a Rcpp::List. The first list element
88 
+     *         contains the number of peaks, the second contains a n x 2 matrix
89 
+     *         with the peak list.
90 
+     */
91 
+    Rcpp::List getPeakList ( int whichScan );
92 
+
93 
+    /**
94 
+     * This function reads all scans and returns them as a matrix. The number of
95 
+     * rows is equal to the given number of scan numbers. The columns represent
96 
+     * equidistant m/z values. mzXML file to obtain the peak list (i.e. the mass spectrum)
97 
+     * for a numbered scan.
98 
+     * @param whichScan: The scan numbers we want to read from.
99 
+     * @param whichMzLow: The lowest m/z value to be returned.
100 
+     * @param whichMzHigh: The highest m/z value to be returned.
101 
+     * @param resMz: The resolution in m/z direction.
102 
+     * @return The matrix is given back as a Rcpp::NumericMatrix.
103 
+     */
104 
+    Rcpp::NumericMatrix
105 
+    get3DMap ( std::vector<int> scanNumbers,
106 
+               double whichMzLow,
107 
+               double whichMzHigh,
108 
+               double resMz );
109 
+
110 
+    /**
111 
+     * Getting for the last scan number (not necessarily the number of scans
112 
+     * because of missing scans).
113 
+     */
114 
+    int getLastScan() const;
115 
+
116 
+    /**
117 
+     * checks the status of the object.
118 
+     */
119 
+    bool OK();
119 120 
 };
120 121
121 122 
 #endif
Browse code

Commit made by the Bioconductor Git-SVN bridge. Consists of 1 commit.

Commit information:

Commit id: 967ff13a84539345f77c75211d0c204a3f3d0edc
Commit message: good job everybody
Committed by: Laurent
Author Name: Laurent
Commit date: 2014-06-22 06:54:49 +0100
Author date: 2014-06-22 06:54:49 +0100



git-svn-id: https://hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/mzR@91685 bc3139a8-67e5-0310-9ffc-ced21a209358

s.neumann authored on 22/06/2014 05:56:07
Showing1 changed files
src/RcppRamp.h
History View file @252028c226
... ... 
@@ -1,8 +1,21 @@
1 1 
 #ifndef _mzR_RCPP_RAMP_H
2 2 
 #define _mzR_RCPP_RAMP_H
3 3
4 
-#include "cramp.h"
5 4 
 #include "Rcpp.h"
5 
+// Taken from http://tolstoy.newcastle.edu.au/R/e2/devel/06/11/1242.html
6 
+// and http://stackoverflow.com/questions/11588765/using-rcpp-with-windows-specific-includes
7 
+// Undefine the Realloc macro, which is defined by both R and by Windows stuff
8 
+// Also need to undefine the Free macro
9 
+#if defined(__MINGW32__)
10 
+#undef Realloc
11 
+#undef Free
12 
+#endif
13 
+
14 
+#include "cramp.h"
15 
+
16 
+#if defined(__MINGW32__)
17 
+#include <windows.h>
18 
+#endif
6 19
7 20 
 class RcppRamp {
8 21
Browse code

Added the mzR package to the repository.

git-svn-id: https://hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/mzR@57456 bc3139a8-67e5-0310-9ffc-ced21a209358

c.wong authored on 15/08/2011 19:53:29
Showing1 changed files
src/RcppRamp.h
History View file @bcff5d52a8
1 1 
new file mode 100644
... ... 
@@ -0,0 +1,108 @@
1 
+#ifndef _mzR_RCPP_RAMP_H
2 
+#define _mzR_RCPP_RAMP_H
3 
+
4 
+#include "cramp.h"
5 
+#include "Rcpp.h"
6 
+
7 
+class RcppRamp {
8 
+
9 
+private:
10 
+  cRamp *ramp;
11 
+  Rcpp::List runInfo;
12 
+  bool isInCacheRunInfo;
13 
+  Rcpp::List instrumentInfo;
14 
+  bool isInCacheInstrumentInfo;
15 
+  Rcpp::DataFrame allScanHeaderInfo;
16 
+  bool isInCacheAllScanHeaderInfo;
17 
+  Rcpp::StringVector filename;
18 
+
19 
+public:
20 
+  RcppRamp();          // Constructor
21 
+  virtual ~RcppRamp(); // Destructor
22 
+
23 
+  /**
24 
+   * Opens a mass spec file (mzXML, mzData, etc.) and creates a cRamp object.
25 
+   * @param fileName: Name of the msxml file
26 
+   * @param declaredScansOnly: suppress RAMP's behavior of creating sparse
27 
+   *        tables to accomodate unlisted scans
28 
+   */
29 
+  void open( const char* fileName, bool declaredScansOnly=false );
30 
+
31 
+  /**
32 
+   * Closes the mzXML file. Releases the memory of the cRamp object.
33 
+   * This function allows memory management from R site.
34 
+   */
35 
+  void close();
36 
+
37 
+  /**
38 
+   * Returns the filename.
39 
+   * @return the filename
40 
+   */
41 
+  Rcpp::StringVector getFilename (  );
42 
+
43 
+  /**
44 
+   * Reads the run information from the mzXML header.
45 
+   * @return rampRunInfo* is parsed to a Rcpp::List
46 
+   */
47 
+  Rcpp::List getRunInfo (  );
48 
+
49 
+  /**
50 
+   * Reads the instrument information from the mzXML header.
51 
+   * @return rampInstrumentInfo* is parsed to a Rcpp::List
52 
+   */
53 
+  Rcpp::List getInstrumentInfo();
54 
+
55 
+  /**
56 
+   * Reads the scan header info. It reads for one mass spectrum the
57 
+   * header information, like ms level, retention time, ion current, ... .
58 
+   * @return rampScanInfo* is parsed to a Rcpp::List
59 
+   */
60 
+  Rcpp::List getScanHeaderInfo ( int whichScan  );
61 
+
62 
+  /**
63 
+   * Reads the scan header info. It reads for all mass spectra the header
64 
+   * information, like ms level, retention time, ion current, ... .
65 
+   * @return rampScanInfo* is parsed to a Rcpp::List
66 
+   */
67 
+  Rcpp::DataFrame getAllScanHeaderInfo ( );
68 
+
69 
+  /**
70 
+   * This function performs a non-sequential parsing operation on an indexed
71 
+   * mzXML file to obtain the peak list (i.e. the mass spectrum) for a numbered scan.
72 
+   * @param whichScan: Number of the scan we want to read from
73 
+   * @return rampPeakList* is parsed to a Rcpp::List. The first list element
74 
+   *         contains the number of peaks, the second contains a n x 2 matrix
75 
+   *         with the peak list.
76 
+   */
77 
+  Rcpp::List getPeakList ( int whichScan );
78 
+
79 
+  /**
80 
+   * This function reads all scans and returns them as a matrix. The number of
81 
+   * rows is equal to the given number of scan numbers. The columns represent
82 
+   * equidistant m/z values. mzXML file to obtain the peak list (i.e. the mass spectrum)
83 
+   * for a numbered scan.
84 
+   * @param whichScan: The scan numbers we want to read from.
85 
+   * @param whichMzLow: The lowest m/z value to be returned.
86 
+   * @param whichMzHigh: The highest m/z value to be returned.
87 
+   * @param resMz: The resolution in m/z direction.
88 
+   * @return The matrix is given back as a Rcpp::NumericMatrix.
89 
+   */
90 
+  Rcpp::NumericMatrix
91 
+  get3DMap ( std::vector<int> scanNumbers,
92 
+	     double whichMzLow,
93 
+	     double whichMzHigh,
94 
+	     double resMz );
95 
+
96 
+  /**
97 
+   * Getting for the last scan number (not necessarily the number of scans
98 
+   * because of missing scans).
99 
+   */
100 
+  int getLastScan() const;
101 
+
102 
+  /**
103 
+   * checks the status of the object.
104 
+   */
105 
+  bool OK();
106 
+};
107 
+
108 
+#endif