Revision: 5176 Author: hansonr Date: 2006-05-25 09:59:48 -0700 (Thu, 25 May 2006) ViewCVS: http://svn.sourceforge.net/jmol/?rev=5176&view=rev
Log Message: ----------- 10.3; needs to be added anytime to 10.2; resolver fix for NWChem files -- was picking up "TITLE" and declaring it a PDB file; now added "fileStartsWith" capability in resolver and check for " argument 1 = ", which is done first, but is very specific to NWChem files. test file from Giacomo Mulas <[EMAIL PROTECTED]> c10h8.nwo uploaded to the 10.3 test directory at St. Olaf. compare: http://www.stolaf.edu/people/hansonr/jmol/test/10.2/new.htm?model=c10h8.nwo http://www.stolaf.edu/people/hansonr/jmol/test/10.3/new.htm?model=c10h8.nwo Modified Paths: -------------- trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java Modified: trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java =================================================================== --- trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java 2006-05-25 15:47:50 UTC (rev 5175) +++ trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java 2006-05-25 16:59:48 UTC (rev 5176) @@ -114,13 +114,22 @@ if (checkCube(lines)) return "Cube"; // run these loops forward ... easier for people to understand - for (int i = 0; i < startsWithRecords.length; ++i) { - String[] recordTags = startsWithRecords[i]; + //file starts with added 4/26 to ensure no issue with NWChem files + for (int i = 0; i < fileStartsWithRecords.length; ++i) { + String[] recordTags = fileStartsWithRecords[i]; for (int j = 0; j < recordTags.length; ++j) { String recordTag = recordTags[j]; + if (lines[0].startsWith(recordTag)) + return fileStartsWithFormats[i]; + } + } + for (int i = 0; i < lineStartsWithRecords.length; ++i) { + String[] recordTags = lineStartsWithRecords[i]; + for (int j = 0; j < recordTags.length; ++j) { + String recordTag = recordTags[j]; for (int k = 0; k < lines.length; ++k) { if (lines[k].startsWith(recordTag)) - return startsWithFormats[i]; + return lineStartsWithFormats[i]; } } } @@ -212,6 +221,19 @@ } //////////////////////////////////////////////////////////////// + // these test files that startWith one of these strings + //////////////////////////////////////////////////////////////// + + final static String[] nwchemRecords = + {" argument 1 = "}; + + final static String[][] fileStartsWithRecords = + { nwchemRecords}; + + final static String[] fileStartsWithFormats = + { "NWChem"}; + + //////////////////////////////////////////////////////////////// // these test lines that startWith one of these strings //////////////////////////////////////////////////////////////// @@ -246,21 +268,18 @@ final static String[] mdlRecords = {"$MDL "}; - final static String[] nwchemRecords = - {" argument 1"}; - - final static String[] spartanSmolRecords = + final static String[] spartanSmolRecords = {"INPUT="}; final static String[] csfRecords = {"local_transform"}; - final static String[][] startsWithRecords = + final static String[][] lineStartsWithRecords = { pdbRecords, shelxRecords, cifRecords, ghemicalMMRecords, jaguarRecords, hinRecords , mdlRecords, nwchemRecords, spartanSmolRecords, csfRecords}; - final static String[] startsWithFormats = + final static String[] lineStartsWithFormats = { "Pdb", "Shelx", "Cif", "GhemicalMM", "Jaguar", "Hin", "Mol", "NWChem", "SpartanSmol", "Csf"}; This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. ------------------------------------------------------- All the advantages of Linux Managed Hosting--Without the Cost and Risk! Fully trained technicians. The highest number of Red Hat certifications in the hosting industry. Fanatical Support. Click to learn more http://sel.as-us.falkag.net/sel?cmd=lnk&kid=107521&bid=248729&dat=121642 _______________________________________________ Jmol-commits mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-commits
