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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 2029 by gezelter, Thu Oct 30 18:51:38 2014 UTC vs.
Revision 2071 by gezelter, Sat Mar 7 21:41:51 2015 UTC

# Line 53 | Line 53
53   #include "applications/sequentialProps/SequentialAnalyzer.hpp"
54   #include "applications/sequentialProps/CenterOfMass.hpp"
55   #include "applications/sequentialProps/ContactAngle1.hpp"
56 + #include "applications/sequentialProps/ContactAngle2.hpp"
57  
58   using namespace OpenMD;
59  
# Line 105 | 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 119 | 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 131 | Line 132 | int main(int argc, char* argv[]){
132      }
133  
134      analyzer = new ContactAngle1(info, dumpFileName, sele1, solidZ, dropletR);
135 +  } else if(args_info.ca2_given){
136 +    RealType solidZ(0.0);
137 +    if (args_info.referenceZ_given)
138 +        solidZ = args_info.referenceZ_arg;
139 +    else {
140 +      sprintf( painCave.errMsg,
141 +               "--referenceZ must be set if --ca2 is used\n");
142 +      painCave.severity = OPENMD_ERROR;
143 +      painCave.isFatal = 1;
144 +      simError();
145 +    }
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 --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, bufferLength, args_info.nbins_arg,
169 +                                 args_info.nbins_z_arg);
170    }
171  
172    if (args_info.output_given) {

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