# HG changeset patch # User deepakjadmin # Date 1453310207 18000 # Node ID e420415a1799eebdddcaef43ca9f237feed37596 # Parent dfff2614510e6a176cf7c47b7d8af9ea003d33a9 Uploaded diff -r dfff2614510e -r e420415a1799 mayatoolV1.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mayatoolV1.xml Wed Jan 20 12:16:47 2016 -0500 @@ -0,0 +1,32 @@ + + extract data from file according to field name and Ids + + MAYA_TOOL3_PATH + + + + +#if '.sdf' in $inputsdf.name +/bin/mkdir $inputsdf.extra_files_path; +ln -s $inputsdf $inputsdf.extra_files_path/molecules.sdf; +/usr/bin/perl \$MAYA_TOOL3_PATH/test.pl $outputsdf.name $inputsdf.extra_files_path/molecules.sdf $Identifier $indexnumbers > $logs; +/bin/rm -rf $inputsdf.extra_files_path; +cp $outputsdf.name $outputsdf; +#end if + + + + + + + + + + + + + + + + + diff -r dfff2614510e -r e420415a1799 test.pl --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test.pl Wed Jan 20 12:16:47 2016 -0500 @@ -0,0 +1,14 @@ +#!/usr/bin/perl -w +use warnings; +$out1 = $ARGV[0]; +$in1 = $ARGV[1]; +$fieldname = $ARGV[2]; +$idfiles = $ARGV[3]; + +open(FILE, $idfiles) or die "Can't read file 'filename' [$!]\n"; +@document = ; +close (FILE); +$strw = join(",",@document); +$strw =~ tr/\r\n//d; +$fieldValues = join(",",$fieldname,$strw); +system("mayachemtools/bin/ExtractFromSDFiles.pl -m datafieldbylist -d $fieldValues -r $out1 -o $in1" ); diff -r dfff2614510e -r e420415a1799 tool_dependencies.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tool_dependencies.xml Wed Jan 20 12:16:47 2016 -0500 @@ -0,0 +1,8 @@ + + + + + $REPOSITORY_INSTALL_DIR + + +