src/types/ShapeAtomType.cpp

#include "types/ShapeAtomType.hpp"

using namespace oopse;

ShapeAtomType::~ShapeAtomType() {
  vector<RealSphericalHarmonic*>::iterator iter;
  for (iter = contactFuncs.begin(); iter != contactFuncs.end(); ++iter) 
    delete (*iter);
  for (iter = rangeFuncs.begin(); iter != rangeFuncs.end(); ++iter) 
    delete (*iter);
  for (iter = strengthFuncs.begin(); iter != strengthFuncs.end(); ++iter) 
    delete (*iter);
  contactFuncs.clear();
  rangeFuncs.clear();
  strengthFuncs.clear();
}

double ShapeAtomType::getContactValueAt(double costheta, double phi) {
  
  vector<RealSphericalHarmonic*>::iterator contactIter;
  double contactVal;
  
  contactVal = 0.0;
  
  for(contactIter = contactFuncs.begin();  contactIter != contactFuncs.end(); 
      ++contactIter)     
    contactVal += (*contactIter)->getValueAt(costheta, phi);
  
  return contactVal;
}

double ShapeAtomType::getRangeValueAt(double costheta, double phi) {
  
  vector<RealSphericalHarmonic*>::iterator rangeIter;
  double rangeVal;
  
  rangeVal = 0.0;
  
  for(rangeIter = rangeFuncs.begin();  rangeIter != rangeFuncs.end(); 
      ++rangeIter)     
    rangeVal += (*rangeIter)->getValueAt(costheta, phi);
  
  return rangeVal;
}

double ShapeAtomType::getStrengthValueAt(double costheta, double phi) {
  
  vector<RealSphericalHarmonic*>::iterator strengthIter;
  double strengthVal;
  
  strengthVal = 0.0;
  
  for(strengthIter = strengthFuncs.begin();  
      strengthIter != strengthFuncs.end(); 
      ++strengthIter)     
    strengthVal += (*strengthIter)->getValueAt(costheta, phi);
  
  return strengthVal;
}
Revision:	1652
Committed:	Tue Oct 26 22:25:19 2004 UTC (19 years, 8 months ago) by gezelter
File size:	1598 byte(s)
Log Message:	Making ShapeType into a ShapeAtomType, fixing some isXXX
#	User	Rev	Content
1	gezelter	1652	#include "types/ShapeAtomType.hpp"
2
3			using namespace oopse;
4
5			ShapeAtomType::~ShapeAtomType() {
6			vector<RealSphericalHarmonic*>::iterator iter;
7			for (iter = contactFuncs.begin(); iter != contactFuncs.end(); ++iter)
8			delete (*iter);
9			for (iter = rangeFuncs.begin(); iter != rangeFuncs.end(); ++iter)
10			delete (*iter);
11			for (iter = strengthFuncs.begin(); iter != strengthFuncs.end(); ++iter)
12			delete (*iter);
13			contactFuncs.clear();
14			rangeFuncs.clear();
15			strengthFuncs.clear();
16			}
17
18			double ShapeAtomType::getContactValueAt(double costheta, double phi) {
19
20			vector<RealSphericalHarmonic*>::iterator contactIter;
21			double contactVal;
22
23			contactVal = 0.0;
24
25			for(contactIter = contactFuncs.begin(); contactIter != contactFuncs.end();
26			++contactIter)
27			contactVal += (*contactIter)->getValueAt(costheta, phi);
28
29			return contactVal;
30			}
31
32			double ShapeAtomType::getRangeValueAt(double costheta, double phi) {
33
34			vector<RealSphericalHarmonic*>::iterator rangeIter;
35			double rangeVal;
36
37			rangeVal = 0.0;
38
39			for(rangeIter = rangeFuncs.begin(); rangeIter != rangeFuncs.end();
40			++rangeIter)
41			rangeVal += (*rangeIter)->getValueAt(costheta, phi);
42
43			return rangeVal;
44			}
45
46			double ShapeAtomType::getStrengthValueAt(double costheta, double phi) {
47
48			vector<RealSphericalHarmonic*>::iterator strengthIter;
49			double strengthVal;
50
51			strengthVal = 0.0;
52
53			for(strengthIter = strengthFuncs.begin();
54			strengthIter != strengthFuncs.end();
55			++strengthIter)
56			strengthVal += (*strengthIter)->getValueAt(costheta, phi);
57
58			return strengthVal;
59			}