--- trunk/src/applications/staticProps/StaticProps.cpp	2005/04/15 22:04:00	507
+++ trunk/src/applications/staticProps/StaticProps.cpp	2006/05/16 02:06:37	956
@@ -50,10 +50,18 @@
 #include "utils/simError.h"
 
 #include "applications/staticProps/StaticPropsCmd.h"
+#include "applications/staticProps/StaticAnalyser.hpp"
 #include "applications/staticProps/GofR.hpp"
 #include "applications/staticProps/GofRAngle.hpp"
 #include "applications/staticProps/GofAngle2.hpp"
 #include "applications/staticProps/GofXyz.hpp"
+#include "applications/staticProps/P2OrderParameter.hpp"
+#include "applications/staticProps/SCDOrderParameter.hpp"
+#include "applications/staticProps/DensityPlot.hpp"
+#include "applications/staticProps/RhoZ.hpp"
+#ifndef WITHOUT_FFTW  
+#include "applications/staticProps/Hxy.hpp"
+#endif
 
 using namespace oopse;
 
@@ -85,7 +93,7 @@ int main(int argc, char* argv[]){
     char*  sele1Env= getenv("OOPSE_SELE1");
     if (sele1Env) {
       sele1 = sele1Env;
-    }else {
+    }else if (!args_info.scd_given) {
       sprintf( painCave.errMsg,
                "neither --sele1 option nor $OOPSE_SELE1 is set");
       painCave.severity = OOPSE_ERROR;
@@ -100,7 +108,9 @@ int main(int argc, char* argv[]){
     char* sele2Env = getenv("OOPSE_SELE2");
     if (sele2Env) {
       sele2 = sele2Env;            
-    } else {
+    } else if (args_info.density_given) { 
+      sele2 = "select all";
+    } else if(!args_info.scd_given && !args_info.density_given && !args_info.slab_density_given)  {
       sprintf( painCave.errMsg,
                "neither --sele2 option nor $OOPSE_SELE2 is set");
       painCave.severity = OOPSE_ERROR;
@@ -109,6 +119,31 @@ int main(int argc, char* argv[]){
     }
   }
 
+  bool batchMode;
+  if (args_info.scd_given){
+    if (args_info.sele1_given && args_info.sele2_given && args_info.sele3_given) {
+        batchMode = false;
+    } else if (args_info.molname_given && args_info.begin_given && args_info.end_given) {
+        if (args_info.begin_arg < 0 || args_info.end_arg < 0 || args_info.begin_arg > args_info.end_arg-2) {
+            sprintf( painCave.errMsg,
+                     "below conditions are not satisfied:\n"
+                     "0 <= begin && 0<= end && begin <= end-2\n");
+            painCave.severity = OOPSE_ERROR;
+            painCave.isFatal = 1;
+            simError();                    
+        }
+        batchMode = true;        
+    } else{
+        sprintf( painCave.errMsg,
+                 "either --sele1, --sele2, --sele3 are specified,"
+                 " or --molname, --begin, --end are specified\n");
+        painCave.severity = OOPSE_ERROR;
+        painCave.isFatal = 1;
+        simError();        
+    
+    }
+  }
+
   //parse md file and set up the system
   SimCreator creator;
   SimInfo* info = creator.createSim(mdFileName);
@@ -121,18 +156,18 @@ int main(int argc, char* argv[]){
     maxLen = std::min(std::min(hmat(0, 0), hmat(1, 1)), hmat(2, 2)) /2.0;        
   }    
 
-  RadialDistrFunc* rdf;
+  StaticAnalyser* analyser;
   if (args_info.gofr_given){
-    rdf= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg);        
+    analyser= new GofR(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg);        
   } else if (args_info.r_theta_given) {
-    rdf  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg);
+    analyser  = new GofRTheta(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg);
   } else if (args_info.r_omega_given) {
-    rdf  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg);
+    analyser  = new GofROmega(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg, args_info.nanglebins_arg);
   } else if (args_info.theta_omega_given) {
-    rdf  = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg);
+    analyser  = new GofAngle2(info, dumpFileName, sele1, sele2, args_info.nanglebins_arg);
   } else if (args_info.gxyz_given) {
     if (args_info.refsele_given) {
-      rdf= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, maxLen, args_info.nrbins_arg);        
+      analyser= new GofXyz(info, dumpFileName, sele1, sele2,args_info.refsele_arg, maxLen, args_info.nrbins_arg);        
     } else {
       sprintf( painCave.errMsg,
                "--refsele must set when --gxyz is used");
@@ -140,18 +175,37 @@ int main(int argc, char* argv[]){
       painCave.isFatal = 1;
       simError();  
     }
+  } else if (args_info.p2_given) {
+      analyser  = new P2OrderParameter(info, dumpFileName, sele1, sele2);
+  } else if (args_info.scd_given) {
+      if (batchMode) {
+          analyser  = new SCDOrderParameter(info, dumpFileName, args_info.molname_arg, 
+            args_info.begin_arg, args_info.end_arg);
+      } else{
+          std::string sele3 = args_info.sele3_arg;
+          analyser  = new SCDOrderParameter(info, dumpFileName, sele1, sele2, sele3);
+      }
+  }else if (args_info.density_given) {
+      analyser= new DensityPlot(info, dumpFileName, sele1, sele2, maxLen, args_info.nrbins_arg);  
+  } else if (args_info.slab_density_given) {
+      Mat3x3d hmat = info->getSnapshotManager()->getCurrentSnapshot()->getHmat();
+      analyser = new RhoZ(info, dumpFileName, sele1, hmat(2, 2), args_info.nrbins_arg);
+#ifndef WITHOUT_FFTW  
+  }else if (args_info.hxy_given) {
+      analyser = new Hxy(info, dumpFileName, sele1, args_info.nbins_x_arg, args_info.nbins_y_arg, args_info.nrbins_arg);
+#endif
   }
     
   if (args_info.output_given) {
-    rdf->setOutputName(args_info.output_arg);
+    analyser->setOutputName(args_info.output_arg);
   }
   if (args_info.step_given) {
-    rdf->setStep(args_info.step_arg);
+    analyser->setStep(args_info.step_arg);
   }
 
-  rdf->process();
+  analyser->process();
 
-  delete rdf;    
+  delete analyser;    
   delete info;
 
   return 0;