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root/OpenMD/trunk/src/applications/staticProps/StaticProps.cpp

Comparing trunk/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 980 by xsun, Thu Jun 1 18:06:33 2006 UTC vs.
Revision 2031 by jmichalk, Fri Oct 31 18:40:40 2014 UTC

#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
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, 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		*/
42
43		#include <iostream>
44		#include <fstream>
45		#include <string>
46
46	–	#include "brains/Register.hpp"
47		#include "brains/SimCreator.hpp"
48		#include "brains/SimInfo.hpp"
49		#include "io/DumpReader.hpp"
#	Line 52 | Line 52
52		#include "applications/staticProps/StaticPropsCmd.h"
53		#include "applications/staticProps/StaticAnalyser.hpp"
54		#include "applications/staticProps/GofR.hpp"
55	+	#include "applications/staticProps/GofZ.hpp"
56	+	#include "applications/staticProps/GofRZ.hpp"
57		#include "applications/staticProps/GofRAngle.hpp"
58		#include "applications/staticProps/GofAngle2.hpp"
59		#include "applications/staticProps/GofXyz.hpp"
60	+	#include "applications/staticProps/TwoDGofR.hpp"
61		#include "applications/staticProps/P2OrderParameter.hpp"
62	+	#include "applications/staticProps/BondOrderParameter.hpp"
63	+	#include "applications/staticProps/BOPofR.hpp"
64		#include "applications/staticProps/RippleOP.hpp"
65		#include "applications/staticProps/SCDOrderParameter.hpp"
66		#include "applications/staticProps/DensityPlot.hpp"
67	+	#include "applications/staticProps/ObjectCount.hpp"
68		#include "applications/staticProps/RhoZ.hpp"
69	+	#include "applications/staticProps/pAngle.hpp"
70	+	#include "applications/staticProps/BondAngleDistribution.hpp"
71	+	#include "applications/staticProps/NanoVolume.hpp"
72	+	#include "applications/staticProps/NanoLength.hpp"
73		#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
74		#include "applications/staticProps/Hxy.hpp"
75		#endif
76	+	#include "applications/staticProps/RhoR.hpp"
77	+	#include "applications/staticProps/AngleR.hpp"
78	+	#include "applications/staticProps/TetrahedralityParam.hpp"
79	+	#include "applications/staticProps/TetrahedralityParamZ.hpp"
80	+	#include "applications/staticProps/TetrahedralityParamXYZ.hpp"
81	+	#include "applications/staticProps/RNEMDStats.hpp"
82	+	#include "applications/staticProps/NitrileFrequencyMap.hpp"
83	+	#include "applications/staticProps/MultipoleSum.hpp"
84	+	#include "applications/staticProps/SurfaceDiffusion.hpp"
85
86	<	using namespace oopse;
86	>	using namespace OpenMD;
87
88		int main(int argc, char* argv[]){
89
90	<	//register force fields
72	<	registerForceFields();
73	<
90	>
91		gengetopt_args_info args_info;
92	<
92	>
93		//parse the command line option
94		if (cmdline_parser (argc, argv, &args_info) != 0) {
95		exit(1) ;
96		}
97	<
98	<
82	<	//get the dumpfile name and meta-data file name
97	>
98	>	//get the dumpfile name
99		std::string dumpFileName = args_info.input_arg;
84	–
85	–	std::string mdFileName = dumpFileName.substr(0, dumpFileName.rfind(".")) + ".md";
86	–
87	–
100		std::string sele1;
101		std::string sele2;
102	<
102	>	std::string sele3;
103	>
104	>	// check the first selection argument, or set it to the environment
105	>	// variable, or failing that, set it to "select all"
106	>
107		if (args_info.sele1_given) {
108		sele1 = args_info.sele1_arg;
109	<	}else {
110	<	char*  sele1Env= getenv("OOPSE_SELE1");
109	>	} else {
110	>	char*  sele1Env= getenv("SELECTION1");
111		if (sele1Env) {
112		sele1 = sele1Env;
113	<	}else if (!args_info.scd_given) {
114	<	sprintf( painCave.errMsg,
99	<	"neither --sele1 option nor $OOPSE_SELE1 is set");
100	<	painCave.severity = OOPSE_ERROR;
101	<	painCave.isFatal = 1;
102	<	simError();
113	>	} else {
114	>	sele1 = "select all";
115		}
116		}
117	<
117	>
118	>	// check the second selection argument, or set it to the environment
119	>	// variable, or failing that, set it to the first selection
120	>
121		if (args_info.sele2_given) {
122		sele2 = args_info.sele2_arg;
123	<	}else {
124	<	char* sele2Env = getenv("OOPSE_SELE2");
123	>	} else {
124	>	char* sele2Env = getenv("SELECTION2");
125		if (sele2Env) {
126		sele2 = sele2Env;
127	<	} else if (args_info.density_given) {
128	<	sele2 = "select all";
129	<	} else if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
130	<	sprintf( painCave.errMsg,
116	<	"neither --sele2 option nor $OOPSE_SELE2 is set");
117	<	painCave.severity = OOPSE_ERROR;
118	<	painCave.isFatal = 1;
119	<	simError();
127	>	} else {
128	>	//If sele2 is not specified, then the default behavior
129	>	//should be what is already intended for sele1
130	>	sele2 = sele1;
131		}
132		}
133
134	+	// check the third selection argument, which is only set if
135	+	// requested by the user
136	+
137	+	if (args_info.sele3_given) sele3 = args_info.sele3_arg;
138	+
139		bool batchMode;
140		if (args_info.scd_given){
141	<	if (args_info.sele1_given && args_info.sele2_given && args_info.sele3_given) {
142	<	batchMode = false;
143	<	} else if (args_info.molname_given && args_info.begin_given && args_info.end_given) {
144	<	if (args_info.begin_arg < 0 || args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
145	<	sprintf( painCave.errMsg,
146	<	"below conditions are not satisfied:\n"
147	<	"0 <= begin && 0<= end && begin <= end-2\n");
132	<	painCave.severity = OOPSE_ERROR;
133	<	painCave.isFatal = 1;
134	<	simError();
135	<	}
136	<	batchMode = true;
137	<	} else{
141	>	if (args_info.sele1_given &&
142	>	args_info.sele2_given && args_info.sele3_given) {
143	>	batchMode = false;
144	>	} else if (args_info.molname_given &&
145	>	args_info.begin_given && args_info.end_given) {
146	>	if (args_info.begin_arg < 0 ||
147	>	args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
148		sprintf( painCave.errMsg,
149	<	"either --sele1, --sele2, --sele3 are specified,"
150	<	" or --molname, --begin, --end are specified\n");
151	<	painCave.severity = OOPSE_ERROR;
149	>	"below conditions are not satisfied:\n"
150	>	"0 <= begin && 0<= end && begin <= end-2\n");
151	>	painCave.severity = OPENMD_ERROR;
152		painCave.isFatal = 1;
153	<	simError();
154	<
153	>	simError();
154	>	}
155	>	batchMode = true;
156	>	} else{
157	>	sprintf( painCave.errMsg,
158	>	"either --sele1, --sele2, --sele3 are specified,"
159	>	" or --molname, --begin, --end are specified\n");
160	>	painCave.severity = OPENMD_ERROR;
161	>	painCave.isFatal = 1;
162	>	simError();
163		}
164		}
165	<
165	>
166		//parse md file and set up the system
167		SimCreator creator;
168	<	SimInfo* info = creator.createSim(mdFileName);
168	>	SimInfo* info = creator.createSim(dumpFileName);
169
170		RealType maxLen;
171	+	RealType zmaxLen;
172		if (args_info.length_given) {
173		maxLen = args_info.length_arg;
174	+	if (args_info.zlength_given){
175	+	zmaxLen = args_info.zlength_arg;
176	+	}
177		} else {
178		Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
179	<	maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;
179	>	maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;
180	>	zmaxLen = hmat(2,2);
181		}
182	<
182	>
183		StaticAnalyser* analyser;
184		if (args_info.gofr_given){
185	<	analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg);
185	>	analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen,
186	>	args_info.nbins_arg);
187	>	} else if (args_info.gofz_given) {
188	>	analyser= new GofZ(info, dumpFileName, sele1, sele2, maxLen,
189	>	args_info.nbins_arg);
190	>	} else if (args_info.r_z_given) {
191	>	analyser  = new GofRZ(info, dumpFileName, sele1, sele2, maxLen, zmaxLen,
192	>	args_info.nbins_arg, args_info.nbins_z_arg);
193		} else if (args_info.r_theta_given) {
194	<	analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg);
194	>	if (args_info.sele3_given)
195	>	analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, sele3, maxLen,
196	>	args_info.nbins_arg, args_info.nanglebins_arg);
197	>	else
198	>	analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen,
199	>	args_info.nbins_arg, args_info.nanglebins_arg);
200		} else if (args_info.r_omega_given) {
201	<	analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg);
201	>	if (args_info.sele3_given)
202	>	analyser  = new GofROmega(info, dumpFileName, sele1, sele2, sele3, maxLen,
203	>	args_info.nbins_arg, args_info.nanglebins_arg);
204	>	else
205	>	analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen,
206	>	args_info.nbins_arg, args_info.nanglebins_arg);
207	>
208		} else if (args_info.theta_omega_given) {
209	<	analyser  = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg);
209	>	if (args_info.sele3_given)
210	>	analyser  = new GofAngle2(info, dumpFileName, sele1, sele2, sele3,
211	>	args_info.nanglebins_arg);
212	>	else
213	>	analyser  = new GofAngle2(info, dumpFileName, sele1, sele2,
214	>	args_info.nanglebins_arg);
215		} else if (args_info.gxyz_given) {
216		if (args_info.refsele_given) {
217	<	analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, maxLen, args_info.nrbins_arg);
217	>	analyser= new GofXyz(info, dumpFileName, sele1, sele2,
218	>	args_info.refsele_arg, maxLen, args_info.nbins_arg);
219		} else {
220		sprintf( painCave.errMsg,
221	<	"--refsele must set when --gxyz is used");
222	<	painCave.severity = OOPSE_ERROR;
221	>	"--refsele must set when --gxyz is used");
222	>	painCave.severity = OPENMD_ERROR;
223		painCave.isFatal = 1;
224		simError();
225		}
226	<	} else if (args_info.p2_given) {
227	<	analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
228	<	}    else if (args_info.rp2_given){
229	<	analyser = new RippleOP(info, dumpFileName, sele1, sele2);
230	<	}else if (args_info.scd_given) {
231	<	if (batchMode) {
232	<	analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
233	<	args_info.begin_arg, args_info.end_arg);
234	<	} else{
235	<	std::string sele3 = args_info.sele3_arg;
236	<	analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
237	<	}
238	<	}else if (args_info.density_given) {
239	<	analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg);
226	>	} else if (args_info.twodgofr_given){
227	>	if (args_info.dz_given) {
228	>	analyser= new TwoDGofR(info, dumpFileName, sele1, sele2, maxLen,
229	>	args_info.dz_arg, args_info.nbins_arg);
230	>	} else {
231	>	sprintf( painCave.errMsg,
232	>	"A slab width (dz) must be specified when calculating TwoDGofR");
233	>	painCave.severity = OPENMD_ERROR;
234	>	painCave.isFatal = 1;
235	>	simError();
236	>	}
237	>	} else if (args_info.p2_given) {
238	>	if (args_info.sele1_given) {
239	>	if (args_info.sele2_given)
240	>	analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
241	>	else
242	>	if (args_info.seleoffset_given)
243	>	analyser  = new P2OrderParameter(info, dumpFileName, sele1,
244	>	args_info.seleoffset_arg);
245	>	else
246	>	analyser  = new P2OrderParameter(info, dumpFileName, sele1);
247	>	} else {
248	>	sprintf( painCave.errMsg,
249	>	"At least one selection script (--sele1) must be specified when calculating P2 order parameters");
250	>	painCave.severity = OPENMD_ERROR;
251	>	painCave.isFatal = 1;
252	>	simError();
253	>	}
254	>	} else if (args_info.rp2_given){
255	>	analyser = new RippleOP(info, dumpFileName, sele1, sele2);
256	>	} else if (args_info.bo_given){
257	>	if (args_info.rcut_given) {
258	>	analyser = new BondOrderParameter(info, dumpFileName, sele1,
259	>	args_info.rcut_arg,
260	>	args_info.nbins_arg);
261	>	} else {
262	>	sprintf( painCave.errMsg,
263	>	"A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
264	>	painCave.severity = OPENMD_ERROR;
265	>	painCave.isFatal = 1;
266	>	simError();
267	>	}
268	>	} else if (args_info.multipole_given){
269	>	analyser = new MultipoleSum(info, dumpFileName, sele1,
270	>	maxLen, args_info.nbins_arg);
271	>	} else if (args_info.tet_param_given) {
272	>	if (args_info.rcut_given) {
273	>	analyser = new TetrahedralityParam(info, dumpFileName, sele1,
274	>	args_info.rcut_arg,
275	>	args_info.nbins_arg);
276	>	} else {
277	>	sprintf( painCave.errMsg,
278	>	"A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
279	>	painCave.severity = OPENMD_ERROR;
280	>	painCave.isFatal = 1;
281	>	simError();
282	>	}
283	>	} else if (args_info.tet_param_z_given) {
284	>	if (args_info.rcut_given) {
285	>	analyser = new TetrahedralityParamZ(info, dumpFileName, sele1, sele2,
286	>	args_info.rcut_arg,
287	>	args_info.nbins_arg);
288	>	} else {
289	>	sprintf( painCave.errMsg,
290	>	"A cutoff radius (rcut) must be specified when calculating Tetrahedrality Parameters");
291	>	painCave.severity = OPENMD_ERROR;
292	>	painCave.isFatal = 1;
293	>	simError();
294	>	}
295	>	} else if (args_info.tet_param_xyz_given) {
296	>	if (!args_info.rcut_given) {
297	>	sprintf( painCave.errMsg,
298	>	"A cutoff radius (rcut) must be specified when calculating"
299	>	" Tetrahedrality Parameters");
300	>	painCave.severity = OPENMD_ERROR;
301	>	painCave.isFatal = 1;
302	>	simError();
303	>	}
304	>	if (!args_info.voxelSize_given) {
305	>	sprintf( painCave.errMsg,
306	>	"A voxel size must be specified when calculating"
307	>	" volume-resolved Tetrahedrality Parameters");
308	>	painCave.severity = OPENMD_ERROR;
309	>	painCave.isFatal = 1;
310	>	simError();
311	>	}
312	>	if (!args_info.gaussWidth_given) {
313	>	sprintf( painCave.errMsg,
314	>	"A gaussian width must be specified when calculating"
315	>	" volume-resolved Tetrahedrality Parameters");
316	>	painCave.severity = OPENMD_ERROR;
317	>	painCave.isFatal = 1;
318	>	simError();
319	>	}
320	>	analyser = new TetrahedralityParamXYZ(info, dumpFileName, sele1, sele2,
321	>	args_info.rcut_arg,
322	>	args_info.voxelSize_arg,
323	>	args_info.gaussWidth_arg);
324	>	} else if (args_info.ior_given){
325	>	if (args_info.rcut_given) {
326	>	analyser = new IcosahedralOfR(info, dumpFileName, sele1,
327	>	args_info.rcut_arg,
328	>	args_info.nbins_arg, maxLen);
329	>	} else {
330	>	sprintf( painCave.errMsg,
331	>	"A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
332	>	painCave.severity = OPENMD_ERROR;
333	>	painCave.isFatal = 1;
334	>	simError();
335	>	}
336	>	} else if (args_info.for_given){
337	>	if (args_info.rcut_given) {
338	>	analyser = new FCCOfR(info, dumpFileName, sele1, args_info.rcut_arg,
339	>	args_info.nbins_arg, maxLen);
340	>	} else {
341	>	sprintf( painCave.errMsg,
342	>	"A cutoff radius (rcut) must be specified when calculating Bond Order Parameters");
343	>	painCave.severity = OPENMD_ERROR;
344	>	painCave.isFatal = 1;
345	>	simError();
346	>	}
347	>	} else if (args_info.bad_given){
348	>	if (args_info.rcut_given) {
349	>	analyser = new BondAngleDistribution(info, dumpFileName, sele1,
350	>	args_info.rcut_arg,
351	>	args_info.nbins_arg);
352	>	} else {
353	>	sprintf( painCave.errMsg,
354	>	"A cutoff radius (rcut) must be specified when calculating Bond Angle Distributions");
355	>	painCave.severity = OPENMD_ERROR;
356	>	painCave.isFatal = 1;
357	>	simError();
358	>	}
359	>	} else if (args_info.scd_given) {
360	>	if (batchMode) {
361	>	analyser  = new SCDOrderParameter(info, dumpFileName,
362	>	args_info.molname_arg,
363	>	args_info.begin_arg, args_info.end_arg);
364	>	} else{
365	>	analyser  = new SCDOrderParameter(info, dumpFileName,
366	>	sele1, sele2, sele3);
367	>	}
368	>	}else if (args_info.density_given) {
369	>	analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen,
370	>	args_info.nbins_arg);
371	>	} else if (args_info.count_given) {
372	>	analyser = new ObjectCount(info, dumpFileName, sele1 );
373		} else if (args_info.slab_density_given) {
374	<	Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
375	<	analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg);
374	>	analyser = new RhoZ(info, dumpFileName, sele1, args_info.nbins_arg);
375	>	} else if (args_info.rnemdz_given) {
376	>	analyser = new RNEMDZ(info, dumpFileName, sele1, args_info.nbins_arg);
377	>	} else if (args_info.rnemdr_given) {
378	>	analyser = new RNEMDR(info, dumpFileName, sele1, args_info.nbins_arg);
379	>	} else if (args_info.rnemdrt_given) {
380	>	analyser = new RNEMDRTheta(info, dumpFileName, sele1,
381	>	args_info.nbins_arg, args_info.nanglebins_arg);
382	>	} else if (args_info.nitrile_given) {
383	>	analyser = new NitrileFrequencyMap(info, dumpFileName, sele1,
384	>	args_info.nbins_arg);
385	>	} else if (args_info.p_angle_given) {
386	>	if (args_info.sele1_given) {
387	>	if (args_info.sele2_given)
388	>	analyser  = new pAngle(info, dumpFileName, sele1, sele2,
389	>	args_info.nbins_arg);
390	>	else
391	>	if (args_info.seleoffset_given) {
392	>	if (args_info.seleoffset2_given) {
393	>	analyser  = new pAngle(info, dumpFileName, sele1,
394	>	args_info.seleoffset_arg,
395	>	args_info.seleoffset2_arg,
396	>	args_info.nbins_arg);
397	>	} else {
398	>	analyser  = new pAngle(info, dumpFileName, sele1,
399	>	args_info.seleoffset_arg,
400	>	args_info.nbins_arg);
401	>	}
402	>	} else
403	>	analyser  = new pAngle(info, dumpFileName, sele1,
404	>	args_info.nbins_arg);
405	>	} else {
406	>	sprintf( painCave.errMsg,
407	>	"At least one selection script (--sele1) must be specified when "
408	>	"calculating P(angle) distributions");
409	>	painCave.severity = OPENMD_ERROR;
410	>	painCave.isFatal = 1;
411	>	simError();
412	>	}
413		#if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
414		}else if (args_info.hxy_given) {
415	<	analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg);
415	>	analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg,
416	>	args_info.nbins_y_arg, args_info.nbins_arg);
417		#endif
418	+	}else if (args_info.surfDiffusion_given){
419	+	analyser = new SurfaceDiffusion(info, dumpFileName, sele1, maxLen);
420	+	}else if (args_info.rho_r_given) {
421	+	if (args_info.radius_given){
422	+	analyser = new RhoR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg,args_info.radius_arg);
423	+	}else{
424	+	sprintf( painCave.errMsg,
425	+	"A particle radius (radius) must be specified when calculating Rho(r)");
426	+	painCave.severity = OPENMD_ERROR;
427	+	painCave.isFatal = 1;
428	+	simError();
429	+	}
430	+	} else if (args_info.hullvol_given) {
431	+	analyser = new NanoVolume(info, dumpFileName, sele1);
432	+	} else if (args_info.rodlength_given) {
433	+	analyser = new NanoLength(info, dumpFileName, sele1);
434	+	} else if (args_info.angle_r_given) {
435	+	analyser = new AngleR(info, dumpFileName, sele1, maxLen,args_info.nbins_arg);
436		}
437	<
437	>
438		if (args_info.output_given) {
439		analyser->setOutputName(args_info.output_arg);
440		}
441		if (args_info.step_given) {
442		analyser->setStep(args_info.step_arg);
443		}
444	<
444	>
445		analyser->process();
446	<
446	>
447		delete analyser;
448		delete info;
449	<
449	>
450		return 0;
451		}
216	–

Comparing trunk/src/applications/staticProps/StaticProps.cpp (property svn:keywords):
Revision 980 by xsun, Thu Jun 1 18:06:33 2006 UTC vs.
Revision 2031 by jmichalk, Fri Oct 31 18:40:40 2014 UTC

#	Line 0 | Line 1
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