Revision: 5174
Author: hansonr
Date: 2006-05-25 08:43:34 -0700 (Thu, 25 May 2006)
ViewCVS: http://svn.sourceforge.net/jmol/?rev=5174&view=rev
Log Message:
-----------
bob200603 resolver for NWChem files -- was picking up "TITLE" and declaring it
a PDB file;
now added "fileStartsWith" and check for " argument 1 = ", which is done first,
but is very specific to NWChem files.
Modified Paths:
--------------
branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Resolver.java
Modified: branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Resolver.java
===================================================================
--- branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Resolver.java
2006-05-25 15:42:02 UTC (rev 5173)
+++ branches/bob200603/Jmol/src/org/jmol/adapter/smarter/Resolver.java
2006-05-25 15:43:34 UTC (rev 5174)
@@ -148,14 +148,24 @@
return "FoldingXyz";
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];
}
}
}
@@ -247,6 +257,19 @@
}
////////////////////////////////////////////////////////////////
+ // 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
////////////////////////////////////////////////////////////////
@@ -281,23 +304,20 @@
final static String[] mdlRecords =
{"$MDL "};
- final static String[] nwchemRecords =
- {" argument 1"};
-
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,
+ jaguarRecords, hinRecords , mdlRecords,
spartanSmolRecords, csfRecords};
- final static String[] startsWithFormats =
+ final static String[] lineStartsWithFormats =
{ "Pdb", "Shelx", "Cif", "GhemicalMM",
- "Jaguar", "Hin", "Mol", "NWChem", "SpartanSmol", "Csf"};
+ "Jaguar", "Hin", "Mol", "SpartanSmol", "Csf"};
////////////////////////////////////////////////////////////////
// contains formats
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