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root/OpenMD/trunk/src/applications/sequentialProps/SequentialProps.cpp
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Comparing trunk/src/applications/sequentialProps/SequentialProps.cpp (file contents):
Revision 2039 by gezelter, Thu Nov 6 14:31:32 2014 UTC vs.
Revision 2081 by gezelter, Tue Mar 17 18:22:18 2015 UTC

# Line 106 | Line 106 | int main(int argc, char* argv[]){
106    SimCreator creator;
107    SimInfo* info = creator.createSim(dumpFileName, false);
108  
109 <  SequentialAnalyzer* analyzer;
109 >  SequentialAnalyzer* analyzer = NULL;
110    if(args_info.com_given){
111      analyzer = new CenterOfMass(info, dumpFileName, sele1);
112    } else if(args_info.ca1_given){
113 <    RealType solidZ;
113 >    RealType solidZ(0.0);
114      if (args_info.referenceZ_given)
115          solidZ = args_info.referenceZ_arg;
116      else {
# Line 120 | Line 120 | int main(int argc, char* argv[]){
120        painCave.isFatal = 1;
121        simError();
122      }
123 <    RealType dropletR;
123 >    RealType dropletR(0.0);
124      if (args_info.dropletR_given)
125          dropletR = args_info.dropletR_arg;
126      else {
# Line 133 | Line 133 | int main(int argc, char* argv[]){
133  
134      analyzer = new ContactAngle1(info, dumpFileName, sele1, solidZ, dropletR);
135    } else if(args_info.ca2_given){
136 <    RealType solidZ;
136 >    RealType solidZ(0.0);
137      if (args_info.referenceZ_given)
138          solidZ = args_info.referenceZ_arg;
139      else {
# Line 143 | Line 143 | int main(int argc, char* argv[]){
143        painCave.isFatal = 1;
144        simError();
145      }
146 <    RealType threshDens;
146 >    RealType centroidX(0.0);
147 >    if (args_info.centroidX_given)
148 >        centroidX = args_info.centroidX_arg;
149 >    else {
150 >      sprintf( painCave.errMsg,
151 >               "--centroidX must be set if --ca2 is used\n");
152 >      painCave.severity = OPENMD_ERROR;
153 >      painCave.isFatal = 1;
154 >      simError();
155 >    }
156 >    RealType centroidY(0.0);
157 >    if (args_info.centroidY_given)
158 >        centroidY = args_info.centroidY_arg;
159 >    else {
160 >      sprintf( painCave.errMsg,
161 >               "--centroidY must be set if --ca2 is used\n");
162 >      painCave.severity = OPENMD_ERROR;
163 >      painCave.isFatal = 1;
164 >      simError();
165 >    }
166 >    RealType threshDens(0.0);
167      if (args_info.threshDens_given)
168          threshDens = args_info.threshDens_arg;
169      else {
# Line 153 | Line 173 | int main(int argc, char* argv[]){
173        painCave.isFatal = 1;
174        simError();
175      }
176 <    RealType bufferLength;
176 >    RealType bufferLength(0.0);
177      if (args_info.bufferLength_given)
178          bufferLength = args_info.bufferLength_arg;
179      else {
# Line 164 | Line 184 | int main(int argc, char* argv[]){
184        simError();
185      }
186  
187 <    analyzer = new ContactAngle2(info, dumpFileName, sele1, solidZ,
187 >    analyzer = new ContactAngle2(info, dumpFileName, sele1, solidZ, centroidX, centroidY,
188                                   threshDens, bufferLength, args_info.nbins_arg,
189                                   args_info.nbins_z_arg);
190    }

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