Changeset 1c7aed for molecuilder/src/analysis_correlation.cpp

Timestamp:

Jan 30, 2010, 7:00:47 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

09ed91, bc46c1

Parents:

14c0f0

Message:

Output....Correlation() don't prepend header line with '#', BinData() changed to just calculate BinEnd by itself.

• BinData(): If BinEnd < BinStart, BinStart is taken over and just BinEnd calculate by GetMinMax().
• this is needed for many histograms to be added on top of one another, there we need to have the same bins in each.
• in all Output..Correlation() functions the '#' was eliminiated as pgfplots does not like it.

File:

• molecuilder/src/analysis_correlation.cpp (modified) (4 diffs)

molecuilder/src/analysis_correlation.cpp

@@ -370 +370 @@
 {
   Info FunctionInfo(__func__);
-  *file << "# BinStart\tCount" << endl;
+  *file << "BinStart\tCount" << endl;
   for (BinPairMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
     *file << runner->first << "\t" << runner->second << endl;
@@ -383 +383 @@
 {
   Info FunctionInfo(__func__);
-  *file << "# BinStart\tAtom1\tAtom2" << endl;
+  *file << "BinStart\tAtom1\tAtom2" << endl;
   for (PairCorrelationMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
     *file << runner->first << "\t" << *(runner->second.first) << "\t" << *(runner->second.second) << endl;
@@ -396 +396 @@
 {
   Info FunctionInfo(__func__);
-  *file << "# BinStart\tAtom::x[i]-point.x[i]" << endl;
+  *file << "BinStart\tAtom::x[i]-point.x[i]" << endl;
   for (CorrelationToPointMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
     *file << runner->first;
@@ -412 +412 @@
 {
   Info FunctionInfo(__func__);
-  *file << "# BinStart\tTriangle" << endl;
+  *file << "BinStart\tTriangle" << endl;
   for (CorrelationToSurfaceMap::const_iterator runner = map->begin(); runner != map->end(); ++runner) {
     *file << runner->first << "\t" << *(runner->second.first) << "\t" << *(runner->second.second) << endl;