130 |
|
Molecule* nextMolecule(std::vector<Molecule*>::iterator& i); |
131 |
|
|
132 |
|
/** Returns the number of degrees of freedom */ |
133 |
< |
int getNDF() { |
133 |
> |
int getNdf() { |
134 |
|
return ndf_; |
135 |
|
} |
136 |
|
|
137 |
|
/** Returns the number of raw degrees of freedom */ |
138 |
< |
int getNDFRaw() { |
138 |
> |
int getNdfRaw() { |
139 |
|
return ndfRaw_; |
140 |
|
} |
141 |
|
|
142 |
|
/** Returns the number of translational degrees of freedom */ |
143 |
< |
int getNDFTrans() { |
143 |
> |
int getNdfTrans() { |
144 |
|
return ndfTrans_; |
145 |
|
} |
146 |
|
|
175 |
|
int* getExcludeList() { |
176 |
|
return exclude_.getExcludeList(); |
177 |
|
} |
178 |
+ |
|
179 |
+ |
Vector3d getComVel(); |
180 |
|
|
181 |
+ |
Vector3d getCom(); |
182 |
+ |
|
183 |
+ |
int getSeed() { |
184 |
+ |
return seed_; |
185 |
+ |
} |
186 |
+ |
|
187 |
+ |
void setSeed(int seed) { |
188 |
+ |
seed_ = seed; |
189 |
+ |
} |
190 |
+ |
|
191 |
|
private: |
192 |
|
|
193 |
< |
void calcNDF(); |
194 |
< |
void calcNDFRaw(); |
195 |
< |
void calcNDFTrans(); |
193 |
> |
void calcNdf(); |
194 |
> |
void calcNdfRaw(); |
195 |
> |
void calcNdfTrans(); |
196 |
|
|
197 |
|
void addExcludePairs(Molecule* mol); |
198 |
|
void removeExcludePairs(Molecule* mol); |
220 |
|
|
221 |
|
std::vector<std::pair<MoleculeStamp*, int> > moleculeStamps_; |
222 |
|
Globals* globals_; |
223 |
+ |
|
224 |
+ |
int seed_; |
225 |
|
}; |
226 |
|
|
227 |
|
} //namespace oopse |