--- trunk/src/io/Globals.cpp	2005/10/14 14:18:02	666
+++ trunk/src/io/Globals.cpp	2005/10/17 03:06:29	674
@@ -50,6 +50,7 @@
 #include "io/mpiBASS.h"
 #endif // is_mpi
 
+#include "io/ParamConstraint.hpp"
 
 #define DefineParameter(NAME,KEYWORD)                              \
   NAME.setKeyword(KEYWORD);                  \
@@ -63,6 +64,9 @@
   NAME.setKeyword(KEYWORD); NAME.setOptional(true); NAME.setDefaultValue(DEFAULTVALUE);                      \
   parameters_.insert(std::make_pair(std::string(KEYWORD),  &NAME));
 
+#define CheckParameter(NAME, CONSTRAINT)                              \
+  if (!NAME.empty()) { if (!(CONSTRAINT)(NAME.getData())) { sprintf(painCave.errMsg,"Error in checking %s : should be %s\n",NAME.getKeyword().c_str(),(CONSTRAINT).getConstraintDescription().c_str()); painCave.isFatal = 1; painCave.severity = OOPSE_ERROR; simError();} }                 
+
 Globals::Globals(){
  
   DefineParameter(ForceField, "forceField")
@@ -137,36 +141,42 @@ int Globals::globalAssign( event* the_event ){
 }
 
 int Globals::globalAssign( event* the_event ){
-  
+  char errorMessage[65535]; 
   int key;
-  int token;
   interface_assign_type the_type =  the_event->evt.asmt.asmt_type;
   char* lhs = the_event->evt.asmt.lhs;
   std::string keyword(lhs);
 
-  bool result;
+  bool result = false;
 
-
+  /**@todo fix memory leak */  
   ParamMap::iterator i =parameters_.find(keyword);
   if (i != parameters_.end()) {
     if( the_type == STRING ){
        result = i->second->setData(std::string(the_event->evt.asmt.rhs.sval));
        if (!result ) {
-  	    sprintf(the_event->err_msg, "Error in parsing meta-data file!\n\t%s must be a string.\n", keyword.c_str() );
+  	    sprintf(errorMessage, "Error in parsing %s: expect %s, but get a string \"%s\".\n", keyword.c_str(), i->second->getParamType().c_str(), the_event->evt.asmt.rhs.sval);
+            the_event->err_msg = strdup(errorMessage);
        }
     } else if( the_type == DOUBLE ){
       result = i->second->setData(the_event->evt.asmt.rhs.dval);
        if (!result )
-         sprintf(the_event->err_msg, "Error in parsing meta-data file!\n\t%s must be a double.\n", keyword.c_str() );
+         sprintf(errorMessage, "Error in parsing %s: expect %s, but get a double %f.\n", keyword.c_str(), i->second->getParamType().c_str(), the_event->evt.asmt.rhs.dval );
+       the_event->err_msg = strdup(errorMessage);
     }      
     else if (the_type == INT ){
       result = i->second->setData(the_event->evt.asmt.rhs.ival);
        if (!result )
-         sprintf(the_event->err_msg,  "Error in parsing meta-data file!\n\t%s must be an int.\n", keyword.c_str() );
+         sprintf(errorMessage,  "Error in parsing %s: expect %s, but get an int %d.\n", keyword.c_str(), i->second->getParamType().c_str(), the_event->evt.asmt.rhs.ival );
+       the_event->err_msg = strdup(errorMessage);
       
     } else {
-    
+        sprintf(errorMessage,  "Internal error of parser\n");
+	the_event->err_msg = strdup(errorMessage);
     }
+  } else {
+    sprintf(errorMessage,  "%s is an unrecognized keyword\n", keyword.c_str() );
+    the_event->err_msg = strdup(errorMessage);
   }
 
   if (keyword == "nComponents" && getNComponents() > 0) {
@@ -325,6 +335,67 @@ char* Globals::checkMe( void ){
     }
   }
 
+  CheckParameter(ForceField, isNotEmpty());
+  CheckParameter(NComponents,isPositive()); 
+  CheckParameter(TargetTemp, isPositive());
+  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || isEqualIgnoreCase(std::string("NVT")) ||
+                                          isEqualIgnoreCase(std::string("NPTi")) || isEqualIgnoreCase(std::string("NPTf"))|| 
+                                          isEqualIgnoreCase(std::string("NPTxyz")) );
+
+  CheckParameter(Dt, isPositive());
+  CheckParameter(RunTime, isPositive());
+  CheckParameter(InitialConfig, isNotEmpty());
+  CheckParameter(FinalConfig, isNotEmpty());
+  CheckParameter(NMol, isPositive());
+  CheckParameter(Density, isPositive());
+  CheckParameter(Box, isPositive());
+  CheckParameter(BoxX, isPositive());
+  CheckParameter(BoxY, isPositive());
+  CheckParameter(BoxZ, isPositive());
+  CheckParameter(SampleTime, isNonNegative());
+  CheckParameter(ResetTime, isNonNegative());
+  CheckParameter(StatusTime, isNonNegative());
+  CheckParameter(CutoffRadius, isPositive());
+  CheckParameter(SwitchingRadius, isNonNegative());
+  CheckParameter(Dielectric, isPositive());
+  CheckParameter(ThermalTime,  isNonNegative());
+  CheckParameter(TargetPressure,  isPositive());
+  CheckParameter(TauThermostat, isPositive());
+  CheckParameter(TauBarostat, isPositive());
+  CheckParameter(ZconsTime, isPositive());
+  CheckParameter(NZconstraints, isPositive());  
+  CheckParameter(ZconsTol, isPositive());
+  //CheckParameter(ZconsForcePolicy,);
+  CheckParameter(Seed, isPositive());
+  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || isEqualIgnoreCase(std::string("CG")));
+  CheckParameter(MinimizerMaxIter, isPositive());
+  CheckParameter(MinimizerWriteFrq, isPositive());
+  CheckParameter(MinimizerStepSize, isPositive());
+  CheckParameter(MinimizerFTol, isPositive());
+  CheckParameter(MinimizerGTol, isPositive());
+  CheckParameter(MinimizerLSTol, isPositive());
+  CheckParameter(MinimizerLSMaxIter, isPositive());
+  CheckParameter(ZconsGap, isPositive());
+  CheckParameter(ZconsFixtime, isPositive());
+  CheckParameter(ThermodynamicIntegrationLambda, isPositive());
+  CheckParameter(ThermodynamicIntegrationK, isPositive());
+  CheckParameter(ForceFieldVariant, isNotEmpty());
+  CheckParameter(ForceFieldFileName, isNotEmpty());
+  CheckParameter(ThermIntDistSpringConst, isPositive());
+  CheckParameter(ThermIntThetaSpringConst, isPositive());
+  CheckParameter(ThermIntOmegaSpringConst, isPositive());
+  CheckParameter(SurfaceTension, isPositive());
+  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("UNDAMPED_WOLF")) || isEqualIgnoreCase(std::string("DAMPED_WOLF")) || isEqualIgnoreCase(std::string("REACTION_FIELD")) );
+  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL")));
+  //CheckParameter(StatFileFormat,);     
+  //CheckParameter(MixingRule,);
+  CheckParameter(OrthoBoxTolerance, isPositive());  
+  CheckParameter(ThermIntDistSpringConst, isPositive());
+  CheckParameter(ThermIntThetaSpringConst, isPositive());
+  CheckParameter(ThermIntOmegaSpringConst, isPositive());
+  CheckParameter(DampingAlpha,isPositive());
+  CheckParameter(SkinThickness, isPositive());
+  
   //@todo memory leak
   if( have_err )
     return strdup( err.c_str() );