Searched refs:dihedralLookUpTable (Results 1 – 2 of 2) sorted by relevance
| /dports/biology/protomol/protomol/framework/frontend/ |
| H A D | buildTopology.cpp | 277 map<string,vector<PAR::Dihedral>::const_iterator> dihedralLookUpTable; in buildTopology() local
281 …dihedralLookUpTable[dihedral->atom1+","+dihedral->atom2+","+dihedral->atom3+","+dihedral->atom4] =… in buildTopology()
303 dihedralLookUpTable.find(dihedral1+","+dihedral2+","+dihedral3+","+dihedral4); in buildTopology()
306 if(currentdihedral == dihedralLookUpTable.end()) in buildTopology()
307 currentdihedral = dihedralLookUpTable.find(dihedral4+","+dihedral3+","+dihedral2+","+dihedral1); in buildTopology()
310 if(currentdihedral == dihedralLookUpTable.end()){ in buildTopology()
311 currentdihedral = dihedralLookUpTable.find("X,"+dihedral2+","+dihedral3+",X"); in buildTopology()
312 if(currentdihedral == dihedralLookUpTable.end()) in buildTopology()
313 currentdihedral = dihedralLookUpTable.find("X,"+dihedral3+","+dihedral2+",X"); in buildTopology()
317 if(currentdihedral == dihedralLookUpTable.end()) in buildTopology()
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| /dports/biology/protomol/protomol/applications/iSGProtomol-app/frontend/ |
| H A D | buildISGTopology.cpp | 277 map<string,vector<iSGPAR::Dihedral>::const_iterator> dihedralLookUpTable; in buildISGTopology() local
282 …dihedralLookUpTable[dihedral->atom1+","+dihedral->atom2+","+dihedral->atom3+","+dihedral->atom4] =… in buildISGTopology()
305 dihedralLookUpTable.find(dihedral1+","+dihedral2+","+dihedral3+","+dihedral4); in buildISGTopology()
308 if(currentdihedral == dihedralLookUpTable.end()) in buildISGTopology()
309 currentdihedral = dihedralLookUpTable.find(dihedral4+","+dihedral3+","+dihedral2+","+dihedral1); in buildISGTopology()
312 if(currentdihedral == dihedralLookUpTable.end()){ in buildISGTopology()
313 currentdihedral = dihedralLookUpTable.find("X,"+dihedral2+","+dihedral3+",X"); in buildISGTopology()
314 if(currentdihedral == dihedralLookUpTable.end()) in buildISGTopology()
315 currentdihedral = dihedralLookUpTable.find("X,"+dihedral3+","+dihedral2+",X"); in buildISGTopology()
319 if(currentdihedral == dihedralLookUpTable.end()) in buildISGTopology()
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