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root/group/trunk/OOPSE-4/src/io/InversionTypesSectionParser.cpp
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Comparing trunk/OOPSE-4/src/io/InversionTypesSectionParser.cpp (file contents):
Revision 3445 by gezelter, Mon Jul 14 12:35:58 2008 UTC vs.
Revision 3446 by cli2, Wed Sep 10 19:51:45 2008 UTC

# Line 45 | Line 45
45   //#include "types/ImproperHarmonicInversionType.hpp"
46   //#include "types/CentralAtomHeightInversionType.hpp"
47   //#include "types/DreidingInversionType.hpp"
48 + #include "types/AmberImproperTorsionType.hpp"
49 + #include "types/PolynomialInversionType.hpp"
50 + //These two are added by me. Maybe it is wrong.
51   #include "UseTheForce/ForceField.hpp"
52   #include "utils/NumericConstant.hpp"
53  
# Line 53 | Line 56 | namespace oopse {
56    InversionTypesSectionParser::InversionTypesSectionParser(ForceFieldOptions& options) : options_(options){
57      
58      setSectionName("InversionTypes");
59 +    stringToEnumMap_["AmberImproper"] = itAmberImproper;
60      stringToEnumMap_["ImproperCosine"] = itImproperCosine;
61      stringToEnumMap_["ImproperHarmonic"] = itImproperHarmonic;
62      stringToEnumMap_["CentralAtomHeight"] = itCentralAtomHeight;
# Line 100 | Line 104 | namespace oopse {
104          inversionType = new ImproperCosineInversionType(parameters);
105  
106        }
107 +    break;
108  
109 +    case InversionTypesSectionParser::itAmberImproper:
110 +            
111 +      if (nTokens < 1) {
112 +
113 +      } else {
114 +        RealType v2 = tokenizer.nextTokenAsDouble();
115 +        
116 +        inversionType = new AmberImproperTorsionType(v2);
117 +      }
118 +
119        break;
120 +            
121  
122 +
123 +
124        /*      
125      case InversionTypesSectionParser::itImproperHarmonic :
126        if (nTokens < 2) {

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