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src/Analysis/analysis_correlation.cpp
ra2a2f7 r7ee21d 334 334 const LinkedCell::LinkedList intersected_atoms_set(intersected_atoms.begin(), intersected_atoms_end); 335 335 336 // create map337 outmap = new PairCorrelationMap;338 339 336 // get linked cell view 340 337 LinkedCell::LinkedCell_View LC = World::getInstance().getLinkedCell(max_distance); … … 411 408 } 412 409 413 outmap = new CorrelationToPointMap;414 410 for (std::vector<molecule *>::const_iterator MolWalker = molecules.begin(); MolWalker != molecules.end(); MolWalker++) { 415 411 LOG(2, "Current molecule is " << *MolWalker << "."); … … 456 452 } 457 453 458 outmap = new CorrelationToPointMap;459 454 for (std::vector<molecule *>::const_iterator MolWalker = molecules.begin(); MolWalker != molecules.end(); MolWalker++) { 460 455 RealSpaceMatrix FullMatrix = World::getInstance().getDomain().getM(); … … 510 505 } 511 506 512 outmap = new CorrelationToSurfaceMap;513 507 for (std::vector<molecule *>::const_iterator MolWalker = molecules.begin(); MolWalker != molecules.end(); MolWalker++) { 514 508 LOG(2, "Current molecule is " << (*MolWalker)->name << "."); … … 566 560 } 567 561 568 outmap = new CorrelationToSurfaceMap;569 562 double ShortestDistance = 0.; 570 563 BoundaryTriangleSet *ShortestTriangle = NULL;
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