msa
git-svn-id: file:///home/git/hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/msa@102253 bc3139a8-67e5-0310-9ffc-ced21a209358
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+/********************************************************************* |
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+ * Clustal Omage - Multiple sequence alignment |
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+ * |
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+ * Copyright (C) 2010 University College Dublin |
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+ * |
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+ * Clustal-Omega is free software; you can redistribute it and/or |
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+ * modify it under the terms of the GNU General Public License as |
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+ * published by the Free Software Foundation; either version 2 of the |
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+ * License, or (at your option) any later version. |
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+ * |
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+ * This file is part of Clustal-Omega. |
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+ * |
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+ ********************************************************************/ |
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+ |
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+/* |
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+ * RCS $Id: main.cpp 234 2011-04-13 05:26:16Z andreas $ |
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+ */ |
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+ |
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+/* |
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+ * We are using a mix of C and C++, which means that linking has to be |
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+ * done with a C++ compiler. By using this "fake" main c++ function, |
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+ * automake is convinced to use a C++ compiler for linking. |
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+ * |
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+ */ |
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+ |
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+#ifdef HAVE_CONFIG_H |
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+ #include "config.h" |
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+#endif |
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+ |
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+#include <stdio.h> |
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+#include <stdlib.h> |
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+#include <string.h> |
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+ |
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+extern "C" { |
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+#include "mymain.h" |
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+#include "clustal/util.h" |
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+//#include "squid/squid.h" |
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+} |
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+ |
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+ |
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+/** |
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+ * @brief Convert an old Clustal command line parameter in the form of |
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+ * [-/]param[=value] to new parameter if possible |
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+ * |
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+ * @param[out] iNewArgC_p |
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+ * "argc" which will be incremented for each successfully converted option |
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+ * @param[out] ppcNewArgV_p |
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+ * "argv" to which each successfully converted options will be added |
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+ * (caller has to free) |
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+ * @param[in] pcOldArg |
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+ * The old parameter and value command line option |
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+ * |
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+ */ |
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+void |
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+ConvertOldCmdLineArg(int *iNewArgC_p, char ***ppcNewArgV_p, char *pcOldArg) |
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+{ |
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+ char *pcOldParam, *pcOldValue, *pcOldArgCopy; |
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+ char zcNotImplementedMsg[] = "WARNING: Invalid old command line option"; |
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+ |
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+ pcOldArgCopy = CkStrdup(pcOldArg); |
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+ pcOldParam = strtok(pcOldArgCopy, "="); |
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+ pcOldValue = strtok(NULL, "="); |
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+ |
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+ |
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+ /* go through all options in order of appearance in clustalw2 -help |
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+ * |
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+ */ |
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+ |
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+ /* data |
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+ * |
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+ */ |
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+ if (STR_NC_EQ("INFILE", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-i"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ } else if (STR_NC_EQ("PROFILE1", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--profile1"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ } else if (STR_NC_EQ("PROFILE2", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--profile2"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ /* verbs |
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+ * |
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+ */ |
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+ |
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+ /* missing: |
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+ * OPTIONS |
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+ */ |
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+ |
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+ } else if (STR_NC_EQ("HELP", &pcOldParam[1]) |
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+ || STR_NC_EQ("CHECK", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-h"); |
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+ |
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+ } else if (STR_NC_EQ("FULLHELP", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-h"); |
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+ |
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+ } else if (STR_NC_EQ("ALIGN", &pcOldParam[1])) { |
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+ char msg[] = "WARNING: The ALIGN option is default in Clustal Omega"; |
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+ fprintf(stderr, "%s\n", msg); |
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+ |
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+ /* missing: |
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+ * TREE |
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+ * PIM |
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+ * BOOTSTRAP |
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+ * CONVERT |
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+ */ |
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+ |
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+ /* parameters |
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+ * |
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+ */ |
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+ } else if (STR_NC_EQ("INTERACTIVE", &pcOldParam[1])) { |
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+ char msg[] = "WARNING: There is no interactive command-line menu in Clustal Omega"; |
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+ fprintf(stderr, "%s\n", msg); |
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+ /* trigger help */ |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-h"); |
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+ |
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+ } else if (STR_NC_EQ("QUICKTREE", &pcOldParam[1])) { |
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+ char msg[] = "WARNING: The QUICKTREE (i.e. k-tuple distance) option is default in Clustal Omega"; |
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+ fprintf(stderr, "%s\n", msg); |
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+ |
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+ } else if (STR_NC_EQ("TYPE", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-t"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ /* NEGATIVE */ |
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+ |
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+ } else if (STR_NC_EQ("OUTFILE", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-o"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ |
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+ } else if (STR_NC_EQ("OUTPUT", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--outfmt"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ /* missing: |
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+ * OUTORDER |
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+ * CASE |
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+ * SEQNOS |
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+ * SEQNO_RANGE |
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+ * RANGE |
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+ */ |
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+ |
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+ } else if (STR_NC_EQ("MAXSEQLEN", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--maxseqlen"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ } else if (STR_NC_EQ("QUIET", &pcOldParam[1])) { |
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+ char msg[] = "WARNING: The QUIET option is default in Clustal Omega"; |
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+ fprintf(stderr, "%s\n", msg); |
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+ |
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+ /* missing: |
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+ * STATS |
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+ */ |
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+ |
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+ /* fast pariwise alignment |
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+ * |
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+ */ |
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+ |
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+ /* missing: |
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+ * KTUPLE |
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+ * TOPDIAGS |
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+ * WINDOW |
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+ * PAIRGAP |
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+ * SCORE |
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+ */ |
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+ |
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+ /* slow pairwise alignments |
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+ * |
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+ */ |
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+ |
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+ /* missing: |
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+ * PWMATRIX |
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+ * PWDNAMATRIX |
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+ * PWGAPOPEN |
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+ * PWGAPEXT |
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+ */ |
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+ |
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+ /* multiple alignments |
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+ * |
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+ */ |
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+ } else if (STR_NC_EQ("NEWTREE", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--guidetree-out"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ } else if (STR_NC_EQ("USETREE", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--guidetree-in"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+ |
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+ /* missing: |
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+ * MATRIX |
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+ * DNAMATRIX |
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+ * GAPOPEN |
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+ * GAPEXT |
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+ * ENDGAPS |
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+ * GAPDIST |
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+ * NOGAP |
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+ * NOHGAP |
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+ * HGAPRESIDUES |
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+ * MAXDIV |
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+ * TYPE already handled above |
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+ * TRANSWEIGHT |
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+ * ITERATION |
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+ * NUMITER |
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+ * NOWEIGHTS |
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+ */ |
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+ |
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+ /* profile alignments |
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+ * |
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+ */ |
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+ |
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+ /* missing: |
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+ * PROFILE |
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+ * NEWTREE1 |
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+ * NEWTREE2 |
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+ * USETREE1 |
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+ * USETREE2 |
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+ */ |
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+ |
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+ /* sequence to profile alignments |
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+ * |
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+ */ |
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+ } else if (STR_NC_EQ("SEQUENCES", &pcOldParam[1])) { |
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+ fprintf(stderr, "WARNING: %s: %s\n", zcNotImplementedMsg, pcOldArg); |
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+ |
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+ /* SEQUENCES and NEWTREE already handled above */ |
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+ |
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+ /* structure alignments |
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+ * |
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+ */ |
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+ |
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+ /* missing: |
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+ * NOSECSTR1 |
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+ * NOSECSTR2 |
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+ * SECSTROUT |
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+ * HELIXGAP |
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+ * STRANDGAP |
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+ * LOOPGAP |
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+ * TERMINALGAP |
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+ * HELIXENDIN |
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+ * HELIXENDOUT |
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+ * STRANDENDIN |
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+ * STRANDENDOUT |
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+ */ |
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+ |
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+ /* trees |
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+ * |
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+ */ |
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+ |
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+ /* missing: |
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+ * OUTPUTTREE |
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+ * SEED |
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+ * KIMURA |
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+ * TOSSGAPS |
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+ * BOOTLABELS |
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+ */ |
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+#if 0 |
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+ } else if (STR_NC_EQ("CLUSTERING", &pcOldParam[1])) { |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-c"); |
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+ if (NULL != pcOldValue) |
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+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(pcOldValue); |
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+#endif |
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+ |
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+ } else { |
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+ fprintf(stderr, |
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+ "WARNING: Unsupported old command line option '%s' will be ignored\n", |
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+ pcOldArg); |
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+ } |
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+ |
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+ /* FIXME: if not outfile was given, than the old default was to create a |
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+ * filename based on the input filename but with its extension replaced by |
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+ * aln. If the input already had the extension aln then the input was |
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+ * overwritten. What to do here? Strictly mimic the old behaviour? |
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+ */ |
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+ |
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+ free(pcOldArgCopy); |
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+} |
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+/* end ConvertOldCmdLineArg */ |
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+ |
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+ |
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+ |
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+/** |
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+ * @brief Convert old command line usage to new one. Mix of old and |
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+ * new style will be tolerated |
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296 |
+ * |
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297 |
+ * @param[out] iNewArgC_p |
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298 |
+ * The updated "argc" |
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299 |
+ * @param[out] ppcNewArgV_p |
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300 |
+ * The updated "argv". Caller has to free. |
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301 |
+ * @param[in] argc |
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302 |
+ * Original "argc" |
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303 |
+ * @param[in] argv |
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304 |
+ * Original argv |
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+ * |
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306 |
+ * @note old style parameters look like this: |
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307 |
+ * [/-]param[=value] |
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308 |
+ * new style parameters: |
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309 |
+ * -p [value] |
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310 |
+ * --param [value] |
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311 |
+ * |
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312 |
+ */ |
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313 |
+void |
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314 |
+ConvertOldCmdline(int *iNewArgC_p, char ***ppcNewArgV_p, int argc, char **argv) |
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315 |
+{ |
|
316 |
+ bool bOldCmdlineDetected = false; |
|
317 |
+ int i; /* aux */ |
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318 |
+ |
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319 |
+ /* we can have at most 2*argc converted arguments, plus the few |
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320 |
+ * that we set by default (.e.g --force) |
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321 |
+ */ |
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322 |
+ (*ppcNewArgV_p) = (char **) CKCALLOC(argc*2+10, sizeof(char*)); |
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323 |
+ |
|
324 |
+ /* copy first arg which is program name */ |
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325 |
+ (*ppcNewArgV_p)[0] = CkStrdup(argv[0]); |
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326 |
+ *iNewArgC_p = 1; |
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327 |
+ |
|
328 |
+ for (i=1; i<argc; i++) { |
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329 |
+ bool bNewStyle = false; |
|
330 |
+ |
|
331 |
+ if (strlen(argv[i])<=2) { |
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332 |
+ /* e.g. -i (param) or just numbers (value) */ |
|
333 |
+ bNewStyle = true; |
|
334 |
+ |
|
335 |
+ } else if (strlen(argv[i])>2) { |
|
336 |
+ if (argv[i][0] == '-' && argv[i][1] == '-') { |
|
337 |
+ /* new style long opts */ |
|
338 |
+ bNewStyle = true; |
|
339 |
+ |
|
340 |
+ } else if (argv[i][0]=='/' && (NULL!=strchr(&argv[i][1], '/'))) { |
|
341 |
+ /* Slash used to be a valid replacement for dash in |
|
342 |
+ * Clustal<=2, but could also be file in new style. If |
|
343 |
+ * we find at least two slashes, one at the beginning, |
|
344 |
+ * it should be a filename and therefore new style */ |
|
345 |
+ bNewStyle = true; |
|
346 |
+ |
|
347 |
+ } else if (argv[i][0] != '/' && argv[i][0] != '-') { |
|
348 |
+ /* old style opts always start with slash or dash */ |
|
349 |
+ bNewStyle = true; |
|
350 |
+ |
|
351 |
+ } |
|
352 |
+ } |
|
353 |
+ |
|
354 |
+ /* copy and continue if new style arg or attempt to convert |
|
355 |
+ * old style arg |
|
356 |
+ */ |
|
357 |
+ if (bNewStyle) { |
|
358 |
+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup(argv[i]); |
|
359 |
+ } else { |
|
360 |
+ ConvertOldCmdLineArg(iNewArgC_p, ppcNewArgV_p, argv[i]); |
|
361 |
+ /*LOG_DEBUG("old command line arg: %s", argv[i]);*/ |
|
362 |
+ bOldCmdlineDetected = true; |
|
363 |
+ } |
|
364 |
+ } |
|
365 |
+ |
|
366 |
+ if (bOldCmdlineDetected) { |
|
367 |
+ bool bOutfileOptSet = FALSE; |
|
368 |
+ bool bOutFormatOptSet = FALSE; |
|
369 |
+ |
|
370 |
+ |
|
371 |
+ /* old clustal used to write to a file called in.aln by |
|
372 |
+ * default. set if not |
|
373 |
+ * explicitely requested otherwisee |
|
374 |
+ */ |
|
375 |
+ for (i=0; i<*iNewArgC_p; i++) { |
|
376 |
+ const char *pcOpt = "-o"; |
|
377 |
+ if (strlen(pcOpt) <= strlen((*ppcNewArgV_p)[i])) { |
|
378 |
+ if (0 == strncmp((*ppcNewArgV_p)[i], pcOpt, strlen(pcOpt))) { |
|
379 |
+ bOutfileOptSet = TRUE; |
|
380 |
+ break; |
|
381 |
+ } |
|
382 |
+ } |
|
383 |
+ } |
|
384 |
+ if (FALSE == bOutfileOptSet) { |
|
385 |
+#ifdef TOO_LAZY_TO_IMPLEMENT_JUST_USING_DEFAULT_NAME_INSTEAD |
|
386 |
+ char *pcDotPos = NULL; |
|
387 |
+ char *pcInfileOpt = NULL; |
|
388 |
+ |
|
389 |
+ /* get infile arg and find last dot in it. if found replace |
|
390 |
+ * everything after with "aln", otherwise just add "aln" |
|
391 |
+ */ |
|
392 |
+ for (i=0; i<*iNewArgC_p; i++) { |
|
393 |
+ const char *pcOpt = "-i"; |
|
394 |
+ if (strlen(pcOpt) <= strlen((*ppcNewArgV_p)[i])) { |
|
395 |
+ if (0 == strncmp((*ppcNewArgV_p)[i], pcOpt, strlen(pcOpt))) { |
|
396 |
+ if (*iNewArgC_p<= i+1) { |
|
397 |
+ fprintf(stderr, |
|
398 |
+ "Oups...error while trying to convert old commandline (%s).\n", |
|
399 |
+ "No more arguments left after -i"); |
|
400 |
+ throw 1; |
|
401 |
+ } |
|
402 |
+ pcInfileOpt = (*ppcNewArgV_p)[i+1]; |
|
403 |
+ break; |
|
404 |
+ } |
|
405 |
+ } |
|
406 |
+ } |
|
407 |
+ if (NULL == pcInfileOpt) { |
|
408 |
+ fprintf(stderr, |
|
409 |
+ "Oups...error while trying to convert old commandline (%s)\n", |
|
410 |
+ "No infile opt found"); |
|
411 |
+ throw 1; |
|
412 |
+ } |
|
413 |
+ |
|
414 |
+ fprintf(stderr, "FIXME: unfinished\n"); |
|
415 |
+ throw 1; |
|
416 |
+#endif |
|
417 |
+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-o"); |
|
418 |
+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("clustal.aln"); |
|
419 |
+ } |
|
420 |
+ |
|
421 |
+ |
|
422 |
+ /* old clustal used the clustal format by default. set if not |
|
423 |
+ * explicitely requested otherwisee |
|
424 |
+ */ |
|
425 |
+ for (i=0; i<*iNewArgC_p; i++) { |
|
426 |
+ const char *pcOpt = "--outfmt"; |
|
427 |
+ if (strlen(pcOpt) <= strlen((*ppcNewArgV_p)[i])) { |
|
428 |
+ if (0 == strncmp((*ppcNewArgV_p)[i], pcOpt, strlen(pcOpt))) { |
|
429 |
+ bOutFormatOptSet = TRUE; |
|
430 |
+ break; |
|
431 |
+ } |
|
432 |
+ } |
|
433 |
+ } |
|
434 |
+ if (FALSE == bOutFormatOptSet) { |
|
435 |
+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--outfmt=clustal"); |
|
436 |
+ } |
|
437 |
+ |
|
438 |
+ |
|
439 |
+ /* old clustal was verbose by default |
|
440 |
+ */ |
|
441 |
+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("-v"); |
|
442 |
+ |
|
443 |
+ /* old clustal used to overwrite files by default |
|
444 |
+ */ |
|
445 |
+ (*ppcNewArgV_p)[(*iNewArgC_p)++] = CkStrdup("--force"); |
|
446 |
+ |
|
447 |
+ fprintf(stderr, |
|
448 |
+ "WARNING: Your old-style command-line options were converted to: "); |
|
449 |
+ for (i=0; i<*iNewArgC_p; i++) { |
|
450 |
+ fprintf(stderr, " %s", (*ppcNewArgV_p)[i]); |
|
451 |
+ } |
|
452 |
+ fprintf(stderr, "\n"); |
|
453 |
+ } |
|
454 |
+ |
|
455 |
+} |
|
456 |
+/* end ConvertOldCmdline */ |
|
457 |
+ |
|
458 |
+ |
|
459 |
+ |
|
460 |
+int |
|
461 |
+main(int argc, char **argv) |
|
462 |
+{ |
|
463 |
+ ClustalOmegaInput msaInput; |
|
464 |
+ ClustalOmegaOutput msaOutput; |
|
465 |
+ |
|
466 |
+ int i; /* aux */ |
|
467 |
+ int new_argc = 0; |
|
468 |
+ char **new_argv = NULL; |
|
469 |
+ |
|
470 |
+ ConvertOldCmdline(&new_argc, &new_argv, argc, argv); |
|
471 |
+ |
|
472 |
+ executeClustalOmega(new_argc, new_argv, &msaInput, &msaOutput); |
|
473 |
+ |
|
474 |
+ for (i=0; i<new_argc; i++) { |
|
475 |
+ free(new_argv[i]); |
|
476 |
+ } |
|
477 |
+ free(new_argv); |
|
478 |
+ |
|
479 |
+ return 0; |
|
480 |
+} |