94 |
|
} |
95 |
|
break; |
96 |
|
|
97 |
< |
/* |
97 |
> |
|
98 |
|
case TorsionTypesSectionParser::ttPolynomial: |
99 |
|
if (nTokens < 2 || nTokens % 2 != 0) { |
100 |
|
|
112 |
|
} |
113 |
|
|
114 |
|
break; |
115 |
< |
*/ |
115 |
> |
|
116 |
|
case TorsionTypesSectionParser::ttCharmm: |
117 |
|
|
118 |
|
if (nTokens < 3 || nTokens % 3 != 0) { |
146 |
|
|
147 |
|
} |
148 |
|
|
149 |
< |
TorsionTypesSectionParser::TorsionTypeEnum TorsionTypesSectionParser::getTorsionTypeEnum(const std::string& str) { |
149 |
> |
TorsionTypeEnum TorsionTypesSectionParser::getTorsionTypeEnum(const std::string& str) { |
150 |
|
std::map<std::string, TorsionTypeEnum>::iterator i; |
151 |
|
i = stringToEnumMap_.find(str); |
152 |
|
|