[ViewVC] Diff of: OpenMD/branches/development/src/selection/HullFinder.cpp

Comparing branches/development/src/selection/HullFinder.cpp (file contents):
Revision 1831 by gezelter, Thu Jan 10 14:06:34 2013 UTC vs.
Revision 1867 by gezelter, Mon Apr 29 17:53:48 2013 UTC

#	Line 35 \| Line 35
35		*
36		* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	<	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
38	>	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39		* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40		* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
#	Line 88 \| Line 88 \| namespace OpenMD {
88		#endif
89		}
90
91	+	HullFinder::~HullFinder() {
92	+	delete surfaceMesh_;
93	+	}
94	+
95		OpenMDBitSet HullFinder::findHull() {
96		Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
97		OpenMDBitSet bsResult(nStuntDoubles_);
#	Line 97 \| Line 101 \| namespace OpenMD {
101		sprintf( painCave.errMsg,
102		"HullFinder : Hull calculation is not possible without libqhull.\n"
103		"\tPlease rebuild OpenMD with qhull enabled.");
104	<	painCave.severity = OPENMD_ERROR;
105	<	painCave.isFatal = 1;
106	<	simError();
104	>	painCave.severity = OPENMD_ERROR;
105	>	painCave.isFatal = 1;
106	>	simError();
107		#endif
108
109		std::vector<Triangle> sMesh = surfaceMesh_->getMesh();

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