ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/sequentialProps/SequentialProps.cpp
(Generate patch)

Comparing trunk/src/applications/sequentialProps/SequentialProps.cpp (file contents):
Revision 2035 by gezelter, Tue Nov 4 15:31:51 2014 UTC vs.
Revision 2071 by gezelter, Sat Mar 7 21:41:51 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 threshDens(0.0);
147      if (args_info.threshDens_given)
148          threshDens = args_info.threshDens_arg;
149      else {
150        sprintf( painCave.errMsg,
151 <               "--threshDens must be set if --ca1 is used\n");
151 >               "--threshDens must be set if --ca2 is used\n");
152        painCave.severity = OPENMD_ERROR;
153        painCave.isFatal = 1;
154        simError();
155      }
156 +    RealType bufferLength(0.0);
157 +    if (args_info.bufferLength_given)
158 +        bufferLength = args_info.bufferLength_arg;
159 +    else {
160 +      sprintf( painCave.errMsg,
161 +               "--bufferLength must be set if --ca2 is used\n");
162 +      painCave.severity = OPENMD_ERROR;
163 +      painCave.isFatal = 1;
164 +      simError();
165 +    }
166  
167      analyzer = new ContactAngle2(info, dumpFileName, sele1, solidZ,
168 <                                 threshDens, args_info.nbins_arg,
168 >                                 threshDens, bufferLength, args_info.nbins_arg,
169                                   args_info.nbins_z_arg);
170    }
171  

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines