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root/group/trunk/OOPSE-4/src/applications/staticProps/StaticProps.cpp
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Comparing trunk/OOPSE-4/src/applications/staticProps/StaticProps.cpp (file contents):
Revision 2241 by tim, Fri May 27 04:41:34 2005 UTC vs.
Revision 2783 by xsun, Thu Jun 1 18:06:33 2006 UTC

# Line 56 | Line 56
56   #include "applications/staticProps/GofAngle2.hpp"
57   #include "applications/staticProps/GofXyz.hpp"
58   #include "applications/staticProps/P2OrderParameter.hpp"
59 + #include "applications/staticProps/RippleOP.hpp"
60   #include "applications/staticProps/SCDOrderParameter.hpp"
61 + #include "applications/staticProps/DensityPlot.hpp"
62 + #include "applications/staticProps/RhoZ.hpp"
63 + #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
64 + #include "applications/staticProps/Hxy.hpp"
65 + #endif
66  
67   using namespace oopse;
68  
# Line 88 | Line 94 | int main(int argc, char* argv[]){
94      char*  sele1Env= getenv("OOPSE_SELE1");
95      if (sele1Env) {
96        sele1 = sele1Env;
97 <    }else {
97 >    }else if (!args_info.scd_given) {
98        sprintf( painCave.errMsg,
99                 "neither --sele1 option nor $OOPSE_SELE1 is set");
100        painCave.severity = OOPSE_ERROR;
# Line 103 | Line 109 | int main(int argc, char* argv[]){
109      char* sele2Env = getenv("OOPSE_SELE2");
110      if (sele2Env) {
111        sele2 = sele2Env;            
112 <    } else {
112 >    } else if (args_info.density_given) {
113 >      sele2 = "select all";
114 >    } else if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
115        sprintf( painCave.errMsg,
116                 "neither --sele2 option nor $OOPSE_SELE2 is set");
117        painCave.severity = OOPSE_ERROR;
# Line 141 | Line 149 | int main(int argc, char* argv[]){
149    SimCreator creator;
150    SimInfo* info = creator.createSim(mdFileName);
151  
152 <  double maxLen;
152 >  RealType maxLen;
153    if (args_info.length_given) {
154      maxLen = args_info.length_arg;
155    } else {
# Line 170 | Line 178 | int main(int argc, char* argv[]){
178      }
179    } else if (args_info.p2_given) {
180        analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
181 <  } else if (args_info.scd_given) {
181 >  }    else if (args_info.rp2_given){
182 >      analyser = new RippleOP(info, dumpFileName, sele1, sele2);
183 > }else if (args_info.scd_given) {
184        if (batchMode) {
185            analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg,
186              args_info.begin_arg, args_info.end_arg);
# Line 178 | Line 188 | int main(int argc, char* argv[]){
188            std::string sele3 = args_info.sele3_arg;
189            analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
190        }
191 +  }else if (args_info.density_given) {
192 +      analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg);  
193 +  } else if (args_info.slab_density_given) {
194 +      Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
195 +      analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg);
196 + #if defined(HAVE_FFTW_H) || defined(HAVE_DFFTW_H) || defined(HAVE_FFTW3_H)
197 +  }else if (args_info.hxy_given) {
198 +    analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg);
199 + #endif
200    }
201      
202    if (args_info.output_given) {

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