Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
|
Last change
on this file since 92d0e6 was bccbe9, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
|
Extracted extraction (subset of) nodes from BoostGraph into BreadthFirstSearchGatherer.
- also added helper namespace BoostGraphHelpers.
- we now treat the vertex indices and vertex names properly. Before that they
had to coincide. Now, the name is the atomic id associated with the node
and the index is the boost::graph internal index.
|
-
Property mode
set to
100644
|
|
File size:
1.1 KB
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * BoostGraphHelpers.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: May 18, 2017
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 |
|
|---|
| 9 | #ifndef GRAPH_BOOSTGRAPHHELPERS_HPP_
|
|---|
| 10 | #define GRAPH_BOOSTGRAPHHELPERS_HPP_
|
|---|
| 11 |
|
|---|
| 12 | // include config.h
|
|---|
| 13 | #ifdef HAVE_CONFIG_H
|
|---|
| 14 | #include <config.h>
|
|---|
| 15 | #endif
|
|---|
| 16 |
|
|---|
| 17 | #include <vector>
|
|---|
| 18 |
|
|---|
| 19 | namespace BoostGraphHelpers {
|
|---|
| 20 |
|
|---|
| 21 | typedef std::vector<atomId_t> Nodeset_t;
|
|---|
| 22 |
|
|---|
| 23 | #ifdef HAVE_INLINE
|
|---|
| 24 | inline
|
|---|
| 25 | #else
|
|---|
| 26 | static
|
|---|
| 27 | #endif
|
|---|
| 28 | bool isCommonNodeInVector(
|
|---|
| 29 | const Nodeset_t &_firstnodes,
|
|---|
| 30 | const Nodeset_t &_secondnodes) {
|
|---|
| 31 | // std::set_intersection builds full set in bad case: too much work, just
|
|---|
| 32 | // seek single element contained in either set
|
|---|
| 33 | Nodeset_t::const_iterator firstiter = _firstnodes.begin();
|
|---|
| 34 | Nodeset_t::const_iterator seconditer = _secondnodes.begin();
|
|---|
| 35 | while ((firstiter != _firstnodes.end()) && (seconditer != _secondnodes.end())) {
|
|---|
| 36 | if (*firstiter == *seconditer) {
|
|---|
| 37 | break;
|
|---|
| 38 | } else if (*firstiter > *seconditer) {
|
|---|
| 39 | ++seconditer;
|
|---|
| 40 | } else {
|
|---|
| 41 | ++firstiter;
|
|---|
| 42 | }
|
|---|
| 43 | }
|
|---|
| 44 | return ((firstiter != _firstnodes.end())
|
|---|
| 45 | && (seconditer != _secondnodes.end()));
|
|---|
| 46 | }
|
|---|
| 47 | } /* namespace BoostGraphHelpers */
|
|---|
| 48 |
|
|---|
| 49 |
|
|---|
| 50 | #endif /* GRAPH_BOOSTGRAPHHELPERS_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
