Scatterer.cpp

/*  ObjCryst++ Object-Oriented Crystallographic Library
    (c) 2000-2002 Vincent Favre-Nicolin vincefn@users.sourceforge.net
        2000-2001 University of Geneva (Switzerland)
 
    This program is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.
 
    This program is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.
 
    You should have received a copy of the GNU General Public License
    along with this program; if not, write to the Free Software
    Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
*/
//
// source file for the base Scatterer classe
 
#include <cmath>
#include <typeinfo>
#include <cstring>
#include <stdio.h> //for sprintf()
 
#include "ObjCryst/ObjCryst/Crystal.h"
#include "ObjCryst/ObjCryst/Scatterer.h"
 
#include "ObjCryst/Quirks/VFNStreamFormat.h" //simple formatting of integers, REALs..
 
#include "ObjCryst/Quirks/VFNDebug.h"
 
#ifdef __WX__CRYST__
   #include "ObjCryst/wxCryst/wxScatterer.h"
#endif
 
#include "ObjCryst/ObjCryst/Colours.h"
 
#include <iomanip>
#include <fstream>
 
namespace ObjCryst
{
 
const RefParType *gpRefParTypeScatt=0;
const RefParType *gpRefParTypeScattTransl=0;
const RefParType *gpRefParTypeScattTranslX=0;
const RefParType *gpRefParTypeScattTranslY=0;
const RefParType *gpRefParTypeScattTranslZ=0;
const RefParType *gpRefParTypeScattOrient=0;
const RefParType *gpRefParTypeScattConform=0;
const RefParType *gpRefParTypeScattConformBondLength=0;
const RefParType *gpRefParTypeScattConformBondAngle=0;
const RefParType *gpRefParTypeScattConformDihedAngle=0;
const RefParType *gpRefParTypeScattConformX=0;
const RefParType *gpRefParTypeScattConformY=0;
const RefParType *gpRefParTypeScattConformZ=0;
const RefParType *gpRefParTypeScattOccup=0;
long NiftyStaticGlobalObjectsInitializer_Scatterer::mCount=0;
//
//      SCATTERER : generic type of scatterer
//
//
ObjRegistry<Scatterer> gScattererRegistry("Global Scatterer Registry");
 
Scatterer::Scatterer():mXYZ(3),mOccupancy(1.0),mColourName("White"),mpCryst(0)
{
   VFN_DEBUG_MESSAGE("Scatterer::Scatterer()",5)
   mXYZ=0;
   this->InitRGBColour();
   gScattererRegistry.Register(*this);
   mClockMaster.AddChild(mClockScatterer);
}
 
Scatterer::Scatterer(const Scatterer &old):
//RefinableObj(),
mXYZ(old.mXYZ),
mOccupancy(old.mOccupancy),
mColourName(old.mColourName),mpCryst(old.mpCryst)
{
   VFN_DEBUG_MESSAGE("Scatterer::Scatterer(&old)",5)
   mName=old.GetName();
   this->InitRGBColour();
   gScattererRegistry.Register(*this);
   mClockMaster.AddChild(mClockScatterer);
}
 
Scatterer::~Scatterer()
{
   VFN_DEBUG_MESSAGE("Scatterer::~Scatterer():("<<mName<<")",5)
   gScattererRegistry.DeRegister(*this);
}
 
const string& Scatterer::GetClassName() const
{
   const static string className="Scatterer";
   return className;
}
 
REAL Scatterer::GetX()    const {return mXYZ(0);}
REAL Scatterer::GetY()    const {return mXYZ(1);}
REAL Scatterer::GetZ()    const {return mXYZ(2);}
REAL Scatterer::GetOccupancy() const {return mOccupancy;}
 
 
void Scatterer::SetX(const REAL x) { this->GetPar(mXYZ.data()).MutateTo(x);}
void Scatterer::SetY(const REAL y) { this->GetPar(mXYZ.data()+1).MutateTo(y);}
void Scatterer::SetZ(const REAL z) { this->GetPar(mXYZ.data()+2).MutateTo(z);}
void Scatterer::SetOccupancy(const REAL occupancy)
{
   mClockScatterer.Click();
   mOccupancy=occupancy;
}
 
Scatterer::operator string() const {return this->GetName();}
/*
void Scatterer::Print() const
{
   cout << "Scatterer : " << FormatString(this->GetName()) << " at :" ;
   cout <<  FormatFloat(this->X());
   cout <<  FormatFloat(this->Y());
   cout <<  FormatFloat(this->Z());
   cout << endl;
}
*/
 
const string& Scatterer::GetColour()const{ return mColourName;}
const float* Scatterer::GetColourRGB()const{ return mColourRGB;}
 
const RefinableObjClock& Scatterer::GetClockScatterer()const {return mClockScatterer;}
RefinableObjClock& Scatterer::GetClockScatterer() {return mClockScatterer;}
 
void Scatterer::SetCrystal(Crystal &cryst){mpCryst=&cryst;}
const Crystal& Scatterer::GetCrystal()const{return *mpCryst;}
Crystal& Scatterer::GetCrystal(){return *mpCryst;}
 
void Scatterer::InitRGBColour()
{
   //mClockScatterer.Click();
   VFN_DEBUG_MESSAGE("Scatterer::InitRGBColour()",2)
   for(long i=0;;)
   {
      if(gPOVRayColours[i].mName==mColourName)
      {
         mColourRGB[0]=gPOVRayColours[i].mRGB[0];
         mColourRGB[1]=gPOVRayColours[i].mRGB[1];
         mColourRGB[2]=gPOVRayColours[i].mRGB[2];
         break;
      }
      i++;
      if(strncmp(gPOVRayColours[i].mName,"",3 )==0)
      {//could not find colour !
         cout << "Could not find colour:"<<mColourName<<" for scaterrer "<<mName<<endl;
         mColourRGB[0]=1;
         mColourRGB[1]=1;
         mColourRGB[2]=1;
         break;
      }
   }
   VFN_DEBUG_MESSAGE("->RGBColour:"<<mColourName<<mColourRGB[0]<<" "<<mColourRGB[1]<<" "<<mColourRGB[2],2)
}
#ifdef __WX__CRYST__
WXCrystObjBasic* Scatterer::WXCreate(wxWindow* parent)
{
   //:TODO: Check mpWXCrystObj==0
   mpWXCrystObj=new WXScatterer(parent,this);
   return mpWXCrystObj;
}
#endif
 
}//namespace