[ViewVC] Diff of: OpenMD/trunk/src/selection/SelectionEvaluator.hpp

Comparing trunk/src/selection/SelectionEvaluator.hpp (file contents):
Revision 1816 by gezelter, Fri Dec 7 18:33:33 2012 UTC vs.
Revision 1903 by gezelter, Tue Jul 16 18:58:08 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 105 \| Line 105 \| namespace OpenMD {
105		}
106		return script.substr(ichBegin, ichEnd);
107		}
108	+	bool hasSurfaceArea() { return hasSurfaceArea_; }
109	+	RealType getSurfaceArea() {
110	+	if (hasSurfaceArea_) {
111	+	return surfaceArea_;
112	+	} else {
113	+	sprintf( painCave.errMsg,
114	+	"SelectionEvaluator Error: %s\n", "No Surface Area For You!");
115	+	painCave.severity = OPENMD_ERROR;
116	+	painCave.isFatal = 1;
117	+	simError();
118	+	return 0.0;
119	+	}
120	+	}
121	+
122
123		private:
124
#	Line 213 \| Line 227 \| namespace OpenMD {
227
228		bool isDynamic_;
229		bool isLoaded_;
230	+	bool hasSurfaceArea_;
231	+	RealType surfaceArea_;
232
233		};
234

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