29 |
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#include "types/CubicBendType.hpp" |
30 |
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#include "types/QuarticBendType.hpp" |
31 |
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#include "types/PolynomialBendType.hpp" |
32 |
+ |
#include "UseTheForce/ForceField.hpp" |
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namespace oopse { |
34 |
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|
35 |
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BendTypesSectionParser::BendTypesSectionParser() { |
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setSectionName("BendTypes"); |
37 |
+ |
|
38 |
+ |
stringToEnumMap_["Harmonic"] = btHarmonic; |
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stringToEnumMap_["GhostBend"] = btGhostBend; |
40 |
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stringToEnumMap_["UreyBradley"] = btUreyBradley; |
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stringToEnumMap_["Cubic"] = btCubic; |
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stringToEnumMap_["Quartic"] = btQuartic; |
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stringToEnumMap_["Polynomial"] = btPolynomial; |
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} |
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|
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void BendTypesSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){ |
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StringTokenizer tokenizer(line); |
40 |
– |
std::string at1; |
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std::string at2; |
42 |
– |
std::string at3; |
43 |
– |
std::string bt; |
44 |
– |
double theta0; |
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BendType* bendType = NULL; |
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|
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int nTokens = tokenizer.countTokens(); |
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return; |
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} |
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(); |
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nTokens -= 5; |
63 |
|
|
64 |
|
//switch is a maintain nightmare |
65 |
|
switch(bt) { |
66 |
|
|
67 |
< |
case "Harmonic" : |
67 |
> |
case btHarmonic : |
68 |
|
|
69 |
|
if (nTokens < 1) { |
70 |
|
|
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bendType = new HarmonicBendType(theta0, ktheta); |
75 |
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} |
76 |
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break; |
77 |
< |
case "GhostBend" : |
77 |
> |
case btGhostBend : |
78 |
|
if (nTokens < 1) { |
79 |
|
|
80 |
|
} else { |
83 |
|
} |
84 |
|
break; |
85 |
|
|
86 |
< |
case "UreyBradley" : |
86 |
> |
case btUreyBradley : |
87 |
|
if (nTokens < 3) { |
88 |
|
|
89 |
|
} else { |
94 |
|
} |
95 |
|
break; |
96 |
|
|
97 |
< |
case "Cubic" : |
97 |
> |
case btCubic : |
98 |
|
if (nTokens < 4) { |
99 |
|
|
100 |
|
} else { |
108 |
|
} |
109 |
|
break; |
110 |
|
|
111 |
< |
case "Quartic" : |
111 |
> |
case btQuartic : |
112 |
|
if (nTokens < 5) { |
113 |
|
|
114 |
|
} else { |
124 |
|
} |
125 |
|
break; |
126 |
|
|
127 |
< |
case "Polynomial" : |
127 |
> |
case btPolynomial : |
128 |
|
if (nTokens < 2 || nTokens % 2 != 0) { |
129 |
|
|
130 |
|
} else { |
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(); |
142 |
|
|
143 |
|
break; |
144 |
|
|
145 |
+ |
case btUnknown : |
146 |
|
default: |
147 |
+ |
break; |
148 |
|
|
149 |
|
} |
150 |
|
|
153 |
|
} |
154 |
|
} |
155 |
|
|
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() ? btUnknown : i->second; |
161 |
+ |
} |
162 |
+ |
|
163 |
|
} //end namespace oopse |
164 |
|
|
165 |
|
|