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root/group/branches/new_design/OOPSE-3.0/src/io/LennardJonesAtomTypesSectionParser.cpp
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Comparing branches/new_design/OOPSE-3.0/src/io/LennardJonesAtomTypesSectionParser.cpp (file contents):
Revision 1789 by tim, Wed Nov 24 22:12:12 2004 UTC vs.
Revision 1790 by tim, Mon Nov 29 15:50:05 2004 UTC

# Line 25 | Line 25
25  
26   #include "io/LennardJonesAtomTypesSectionParser.hpp"
27   #include "types/AtomType.hpp"
28 <
28 > #include "UseTheForce/ForceField.hpp"
29   namespace oopse {
30  
31   LennardJonesAtomTypesSectionParser::LennardJonesAtomTypesSectionParser() {
# Line 43 | Line 43 | void LennardJonesAtomTypesSectionParser::parseLine(For
43      } else {
44  
45          std::string atomTypeName = tokenizer.nextToken();    
46 <        AtomType* atomType = ff ->getAtomType(atomTypeName);
46 >        AtomType* atomType = ff.getAtomType(atomTypeName);
47  
48          if (atomType != NULL) {
49              LJParam ljParam;                        
50 <            double ljParam.epsilon = tokenizer.nextTokenAsDouble();
51 <            double ljParam.sigma = tokenizer.nextTokenAsDouble();
52 <            atomType.addProperty(new LJParamGenericData("LennardJones", ljParam));
50 >            ljParam.epsilon = tokenizer.nextTokenAsDouble();
51 >            ljParam.sigma = tokenizer.nextTokenAsDouble();
52 >            atomType->addProperty(new LJParamGenericData("LennardJones", ljParam));
53              atomType->setLennardJones();
54          }
55                        

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