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root/group/branches/new_design/OOPSE-4/src/io/BendTypesSectionParser.cpp
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Comparing branches/new_design/OOPSE-4/src/io/BendTypesSectionParser.cpp (file contents):
Revision 1800 by tim, Tue Nov 30 04:14:43 2004 UTC vs.
Revision 1801 by tim, Tue Nov 30 04:43:29 2004 UTC

# Line 45 | Line 45 | void BendTypesSectionParser::parseLine(ForceField& ff,
45  
46   void BendTypesSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){
47      StringTokenizer tokenizer(line);
48 –    std::string at1;
49 –    std::string at2;
50 –    std::string at3;
51 –    std::string bt;
52 –    double theta0;
48      BendType* bendType = NULL;
49  
50      int nTokens = tokenizer.countTokens();
# Line 59 | Line 54 | void BendTypesSectionParser::parseLine(ForceField& ff,
54          return;
55      }
56      
57 <    at1 = tokenizer.nextToken();
58 <    at2 = tokenizer.nextToken();
59 <    at3 = tokenizer.nextToken();
60 <    bt = tokenizer.nextToken();
61 <    theta0 = tokenizer.nextTokenAsDouble();
57 >    std::string at1 = tokenizer.nextToken();
58 >    std::string at2 = tokenizer.nextToken();
59 >    std::string at3 = tokenizer.nextToken();
60 >    BendTypeEnum bt = getBendTypeEnum(tokenizer.nextToken());
61 >    double theta0 = tokenizer.nextTokenAsDouble();
62      nTokens -= 5;
63  
64      //switch is a maintain nightmare
# Line 136 | Line 131 | void BendTypesSectionParser::parseLine(ForceField& ff,
131                  int nPairs = nTokens / 2;
132                  int power;
133                  double coefficient;
134 <                PolynomialBendType* pbt = new PolynomialBendType();
134 >                PolynomialBendType* pbt = new PolynomialBendType(theta0);
135                  
136                  for (int i = 0; i < nPairs; ++i) {
137                      power = tokenizer.nextTokenAsInt();
# Line 147 | Line 142 | void BendTypesSectionParser::parseLine(ForceField& ff,
142              
143              break;
144  
145 +        case btUnknown :
146          default:
147 +            break;
148              
149      }
150  
# Line 156 | Line 153 | BendTypeEnum BendTypesSectionParser::getTorsionTypeEnu
153      }
154   }
155  
156 < BendTypeEnum BendTypesSectionParser::getTorsionTypeEnum(const std::string& str) {
157 <    std::map<std::string, BondTypeEnum>::iterator i;
156 > BendTypesSectionParser::BendTypeEnum BendTypesSectionParser::getBendTypeEnum(const std::string& str) {
157 >    std::map<std::string, BendTypeEnum>::iterator i;
158      i = stringToEnumMap_.find(str);
159  
160 <    return i == stringToEnumMap_.end() ? TorsionTypesSectionParser::ttUnknown : i->second;
160 >    return i == stringToEnumMap_.end() ? btUnknown : i->second;
161   }
162  
163   } //end namespace oopse

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