94 |
|
bool isDipole() { |
95 |
|
return atomType_->isDipole(); |
96 |
|
} |
97 |
– |
|
98 |
– |
bool isQudrapole() { |
99 |
– |
return atomType_->isQuadrupole(); |
100 |
– |
} |
97 |
|
|
98 |
|
bool isMultipole() { |
99 |
|
return atomType_->isMultipole(); |
115 |
|
return atomType_->isMetal(); |
116 |
|
} |
117 |
|
|
118 |
+ |
bool isFluctuatingCharge() { |
119 |
+ |
return atomType_->isFluctuatingCharge(); |
120 |
+ |
} |
121 |
+ |
|
122 |
|
int getIdent() { |
123 |
|
return atomType_->getIdent(); |
124 |
|
} |
125 |
|
|
126 |
+ |
RealType getChargeMass() { |
127 |
+ |
return chargeMass_; |
128 |
+ |
} |
129 |
+ |
|
130 |
+ |
void setChargeMass(RealType cm) { |
131 |
+ |
chargeMass_ = cm; |
132 |
+ |
} |
133 |
+ |
|
134 |
|
protected: |
135 |
|
AtomType* atomType_; |
136 |
+ |
RealType chargeMass_; |
137 |
|
}; |
138 |
|
|
139 |
|
}//namespace OpenMD |