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root/group/branches/new_design/OOPSE-3.0/src/UseTheForce/DUFF.cpp
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Comparing branches/new_design/OOPSE-3.0/src/UseTheForce/DUFF.cpp (file contents):
Revision 1782 by tim, Tue Nov 23 17:53:43 2004 UTC vs.
Revision 1783 by tim, Wed Nov 24 21:33:00 2004 UTC

# Line 28 | Line 28
28   #include "UseTheForce/DarkSide/charge_interface.h"
29   #include "UseTheForce/DarkSide/dipole_interface.h"
30   #include "UseTheForce/DarkSide/sticky_interface.h"
31 + #include "UseTheForce/ForceFieldFactory.hpp"
32 + #include "io/DirectionalAtomTypesSectionParser.hpp"
33 + #include "io/AtomTypesSectionParser.hpp"
34 + #include "io/LennardJonesAtomTypesSectionParser.hpp"
35 + #include "io/ElectrostaticAtomTypesSectionParser.hpp"
36 + #include "io/EAMAtomTypesSectionParser.hpp"
37 + #include "io/StickyAtomTypesSectionParser.hpp"
38 + #include "io/BondTypesSectionParser.hpp"
39 + #include "io/BendTypesSectionParser.hpp"
40 + #include "io/TorsionTypesSectionParser.hpp"
41  
42   namespace oopse {
43  
# Line 37 | Line 47 | ForceFieldFactory::getInstance()->registerForceField("
47   }
48  
49   //register createDUFF to ForceFieldFactory
50 < ForceFieldFactory::getInstance()->registerForceField("DUFF", createDUFF);
50 > bool registerDUFFStatus = ForceFieldFactory::getInstance()->registerForceField("DUFF", createDUFF);
51  
52   DUFF::DUFF(){
53  
# Line 65 | Line 75 | void DUFF::parse(const std::string& filename) {
75  
76   void DUFF::parse(const std::string& filename) {
77      ifstrstream* ffStream;
78 <    ffStream = openForceFiledFile(filename);
78 >    ffStream = openForceFieldFile(filename);
79  
80      spMan_.parse(*ffStream, *this);
81  
82 <    typename ForceField::AtomTypeContainer::MapTypeIterator i;
82 >    ForceField::AtomTypeContainer::MapTypeIterator i;
83      AtomType* at;
84  
85      for (at = atomTypeCont_.beginType(i); at != NULL; at = atomTypeCont_.nextType(i)) {
# Line 114 | Line 124 | void DUFF::parse(const std::string& filename) {
124  
125   void DUFF::parse(const std::string& filename) {
126      ifstrstream* ffStream;
127 <    ffStream = openForceFiledFile(filename);
127 >    ffStream = openForceFieldFile(filename);
128      const int bufferSize = 65535;
129      std::string line;
130      char buffer[bufferSize];

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