27 |
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#include "types/HarmonicBendType.hpp" |
28 |
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#include "types/UreyBradleyBendType.hpp" |
29 |
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#include "types/CubicBendType.hpp" |
30 |
< |
#include "types/QuadraticBendType.hpp" |
30 |
> |
#include "types/QuarticBendType.hpp" |
31 |
|
#include "types/PolynomialBendType.hpp" |
32 |
+ |
#include "UseTheForce/ForceField.hpp" |
33 |
+ |
#include "utils/NumericConstant.hpp" |
34 |
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namespace oopse { |
35 |
|
|
36 |
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BendTypesSectionParser::BendTypesSectionParser() { |
37 |
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setSectionName("BendTypes"); |
38 |
+ |
|
39 |
+ |
stringToEnumMap_["Harmonic"] = btHarmonic; |
40 |
+ |
stringToEnumMap_["GhostBend"] = btGhostBend; |
41 |
+ |
stringToEnumMap_["UreyBradley"] = btUreyBradley; |
42 |
+ |
stringToEnumMap_["Cubic"] = btCubic; |
43 |
+ |
stringToEnumMap_["Quartic"] = btQuartic; |
44 |
+ |
stringToEnumMap_["Polynomial"] = btPolynomial; |
45 |
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} |
46 |
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|
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void BendTypesSectionParser::parseLine(ForceField& ff,const std::string& line, int lineNo){ |
48 |
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StringTokenizer tokenizer(line); |
40 |
– |
std::string at1; |
41 |
– |
std::string at2; |
42 |
– |
std::string at3; |
43 |
– |
std::string bt; |
44 |
– |
double theta0; |
49 |
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BendType* bendType = NULL; |
50 |
|
|
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int nTokens = tokenizer.countTokens(); |
55 |
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return; |
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} |
57 |
|
|
58 |
< |
at1 = tokenizer.nextToken(); |
59 |
< |
at2 = tokenizer.nextToken(); |
60 |
< |
at3 = tokenizer.nextToken(); |
61 |
< |
bt = tokenizer.nextToken(); |
62 |
< |
theta0 = tokenizer.nextTokenAsDouble(); |
58 |
> |
std::string at1 = tokenizer.nextToken(); |
59 |
> |
std::string at2 = tokenizer.nextToken(); |
60 |
> |
std::string at3 = tokenizer.nextToken(); |
61 |
> |
BendTypeEnum bt = getBendTypeEnum(tokenizer.nextToken()); |
62 |
> |
double theta0 = tokenizer.nextTokenAsDouble() / 180.0 * NumericConstant::PI; //convert to rad |
63 |
|
nTokens -= 5; |
64 |
|
|
65 |
|
//switch is a maintain nightmare |
66 |
|
switch(bt) { |
67 |
|
|
68 |
< |
case "Harmonic" : |
68 |
> |
case btHarmonic : |
69 |
|
|
70 |
|
if (nTokens < 1) { |
71 |
|
|
75 |
|
bendType = new HarmonicBendType(theta0, ktheta); |
76 |
|
} |
77 |
|
break; |
78 |
< |
case "GhostBend" : |
78 |
> |
case btGhostBend : |
79 |
|
if (nTokens < 1) { |
80 |
|
|
81 |
|
} else { |
84 |
|
} |
85 |
|
break; |
86 |
|
|
87 |
< |
case "UreyBradley" : |
87 |
> |
case btUreyBradley : |
88 |
|
if (nTokens < 3) { |
89 |
|
|
90 |
|
} else { |
95 |
|
} |
96 |
|
break; |
97 |
|
|
98 |
< |
case "Cubic" : |
98 |
> |
case btCubic : |
99 |
|
if (nTokens < 4) { |
100 |
|
|
101 |
|
} else { |
109 |
|
} |
110 |
|
break; |
111 |
|
|
112 |
< |
case "Quartic" : |
112 |
> |
case btQuartic : |
113 |
|
if (nTokens < 5) { |
114 |
|
|
115 |
|
} else { |
121 |
|
double k1 = tokenizer.nextTokenAsDouble(); |
122 |
|
double k0 = tokenizer.nextTokenAsDouble(); |
123 |
|
|
124 |
< |
bendType = new QuadraticBendType(theta0, k4, k3, k2, k1, k0); |
124 |
> |
bendType = new QuarticBendType(theta0, k4, k3, k2, k1, k0); |
125 |
|
} |
126 |
|
break; |
127 |
|
|
128 |
< |
case "Polynomial" : |
128 |
> |
case btPolynomial : |
129 |
|
if (nTokens < 2 || nTokens % 2 != 0) { |
130 |
|
|
131 |
|
} else { |
132 |
|
int nPairs = nTokens / 2; |
133 |
|
int power; |
134 |
|
double coefficient; |
135 |
< |
PolynomialBendType* pbt = new PolynomialBendType(); |
135 |
> |
PolynomialBendType* pbt = new PolynomialBendType(theta0); |
136 |
|
|
137 |
|
for (int i = 0; i < nPairs; ++i) { |
138 |
|
power = tokenizer.nextTokenAsInt(); |
143 |
|
|
144 |
|
break; |
145 |
|
|
146 |
+ |
case btUnknown : |
147 |
|
default: |
148 |
+ |
break; |
149 |
|
|
150 |
|
} |
151 |
|
|
154 |
|
} |
155 |
|
} |
156 |
|
|
157 |
+ |
BendTypesSectionParser::BendTypeEnum BendTypesSectionParser::getBendTypeEnum(const std::string& str) { |
158 |
+ |
std::map<std::string, BendTypeEnum>::iterator i; |
159 |
+ |
i = stringToEnumMap_.find(str); |
160 |
+ |
|
161 |
+ |
return i == stringToEnumMap_.end() ? btUnknown : i->second; |
162 |
+ |
} |
163 |
+ |
|
164 |
|
} //end namespace oopse |
165 |
|
|
166 |
|
|