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In DrawCell class (VirtualLeaf.cpp) - iterate over NChem to construct info_string. Additional cleanup.
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user: Michael Guravage <michael.guravage@cwi.nl>
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user: Michael Guravage <michael.guravage@cwi.nl>
branch 'default'
changed src/ChangeLog
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changed src/Neighbor.h
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*
* This file is part of the Virtual Leaf.
*
* VirtualLeaf 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 3 of the License, or
* (at your option) any later version.
*
* VirtualLeaf 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 the Virtual Leaf. If not, see <http://www.gnu.org/licenses/>.
*
* Copyright 2010 Roeland Merks.
*
*/
#include <string>
#include <ostream>
#include <cmath>
#include "vector.h"
#include "matrix.h"
#include "tiny.h"
static const std::string _module_id("$Id$");
Matrix::Matrix(const Vector &c1, const Vector &c2, const Vector &c3) {
Alloc();
mat[0][0]=c1.x; mat[0][1]=c2.x; mat[0][2]=c3.x;
mat[1][0]=c1.y; mat[1][1]=c2.y; mat[1][2]=c3.y;
mat[2][0]=c1.z; mat[2][1]=c2.z; mat[2][2]=c3.z;
}
void Matrix::Alloc(void)
{
// constructor
mat = new double*[3];
mat[0] = new double[9];
for (int i=1;i<3;i++)
mat[i]=mat[i-1]+3;
}
Matrix::~Matrix()
{
// destructor
delete[] mat[0];
delete[] mat;
}
Matrix::Matrix(void)
{
// constructor
Alloc();
// clear matrix
for (int i=0;i<9;i++) {
mat[0][i]=0.;
}
}
Matrix::Matrix(const Matrix &source)
{
// copy constructor
Alloc();
for (int i=0;i<9;i++) {
mat[0][i]=source.mat[0][i];
}
}
void Matrix::operator=(const Matrix &source)
{
// assignment
// don't assign to self
if (this==&source) return;
// copy
for (int i=0;i<9;i++)
mat[0][i]=source.mat[0][i];
}
void Matrix::print(ostream *os)
{
*os << "{ { " << mat[0][0] << "," << mat[0][1] << "," << mat[0][2]
<< "},{" << mat[1][0] << "," << mat[1][1] << "," << mat[1][2]
<< "},{" << mat[2][0] << "," << mat[2][1] << "," << mat[2][2] << "} }";
}
ostream &operator<<(ostream &os, Matrix &v) {
v.print(&os);
return os;
}
Vector Matrix::operator*(const Vector &v) const
{
// matrix * vector
Vector result;
result.x = mat[0][0]*v.x+mat[0][1]*v.y+mat[0][2]*v.z;
result.y = mat[1][0]*v.x+mat[1][1]*v.y+mat[1][2]*v.z;
result.z = mat[2][0]*v.x+mat[2][1]*v.y+mat[2][2]*v.z;
return result;
}
bool Matrix::operator==(Matrix &m) const
{
for (int i=0;i<9;i++) {
if ((mat[0][i]-m.mat[0][i])>TINY)
return false;
}
return true;
}
double Matrix::Det(void) const
{
return
- mat[0][2]*mat[0][4]*mat[0][6]
+ mat[0][1]*mat[0][5]*mat[0][6]
+ mat[0][2]*mat[0][3]*mat[0][7]
- mat[0][0]*mat[0][5]*mat[0][7]
- mat[0][1]*mat[0][3]*mat[0][8]
+ mat[0][0]*mat[0][4]*mat[0][8];
}
Matrix Matrix::Inverse(void) const
{
// return the Inverse of this matrix
double rd=1./Det(); // Reciproce Det;
Matrix inverse;
inverse.mat[0][0]=rd*(-mat[0][5]*mat[0][7]+mat[0][4]*mat[0][8]);
inverse.mat[0][1]=rd*( mat[0][2]*mat[0][7]-mat[0][1]*mat[0][8]);
inverse.mat[0][2]=rd*(-mat[0][2]*mat[0][4]+mat[0][1]*mat[0][5]);
inverse.mat[0][3]=rd*( mat[0][5]*mat[0][6]-mat[0][3]*mat[0][8]);
inverse.mat[0][4]=rd*(-mat[0][2]*mat[0][6]+mat[0][0]*mat[0][8]);
inverse.mat[0][5]=rd*( mat[0][2]*mat[0][3]-mat[0][0]*mat[0][5]);
inverse.mat[0][6]=rd*(-mat[0][4]*mat[0][6]+mat[0][3]*mat[0][7]);
inverse.mat[0][7]=rd*( mat[0][1]*mat[0][6]-mat[0][0]*mat[0][7]);
inverse.mat[0][8]=rd*(-mat[0][1]*mat[0][3]+mat[0][0]*mat[0][4]);
return inverse;
}
void Matrix::Rot2D(double theta)
{
// make this matrix a rotation matrix over theta
// see http://mathworld.wolfram.com/RotationMatrix.html
mat[0][0] = cos(theta); mat[0][1]=sin(theta);
mat[1][0] = -sin(theta); mat[1][1]=cos(theta);
mat[0][2] = mat[1][2] = mat[2][0] = mat[2][1] = mat[2][2] = 0.;
}
/* finis */
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