| 1 |
#include <iostream> |
| 2 |
|
| 3 |
#include <stdlib.h> |
| 4 |
#include <stdio.h> |
| 5 |
|
| 6 |
#include "simError.h" |
| 7 |
#include "SimState.hpp" |
| 8 |
|
| 9 |
|
| 10 |
SimState::SimState(){ |
| 11 |
|
| 12 |
nElements = 0; |
| 13 |
arraysAllocated = false; |
| 14 |
|
| 15 |
pos = NULL; |
| 16 |
vel = NULL; |
| 17 |
frc = NULL; |
| 18 |
trq = NULL; |
| 19 |
Amat = NULL; |
| 20 |
mu = NULL; |
| 21 |
ul = NULL; |
| 22 |
rc = NULL; |
| 23 |
massRatio = NULL; |
| 24 |
} |
| 25 |
|
| 26 |
|
| 27 |
SimState::~SimState(){ |
| 28 |
|
| 29 |
if(pos != NULL) delete[] pos; |
| 30 |
if(vel != NULL) delete[] vel; |
| 31 |
if(frc != NULL) delete[] frc; |
| 32 |
if(trq != NULL) delete[] trq; |
| 33 |
if(Amat != NULL) delete[] Amat; |
| 34 |
if(mu != NULL) delete[] mu; |
| 35 |
if(ul != NULL) delete[] ul; |
| 36 |
if(rc != NULL) delete[] rc; |
| 37 |
if(massRatio != NULL) delete[] massRatio; |
| 38 |
|
| 39 |
} |
| 40 |
|
| 41 |
|
| 42 |
void SimState::createArrays (int the_nElements) { |
| 43 |
int i, index3, index9; |
| 44 |
|
| 45 |
if( arraysAllocated ){ |
| 46 |
|
| 47 |
sprintf( painCave.errMsg, |
| 48 |
"Someone has attempted to allocate SimState arrays before " |
| 49 |
"deallocating the previous arrays.\n" ); |
| 50 |
painCave.isFatal = 1; |
| 51 |
simError(); |
| 52 |
} |
| 53 |
|
| 54 |
nElements = the_nElements; |
| 55 |
|
| 56 |
pos = new double[nElements*3]; |
| 57 |
vel = new double[nElements*3]; |
| 58 |
frc = new double[nElements*3]; |
| 59 |
trq = new double[nElements*3]; |
| 60 |
Amat = new double[nElements*9]; |
| 61 |
mu = new double[nElements]; |
| 62 |
ul = new double[nElements*3]; |
| 63 |
rc = new double[nElements*3]; |
| 64 |
massRatio = new double[nElements]; |
| 65 |
|
| 66 |
// init directional values to zero |
| 67 |
|
| 68 |
for( i=0; i<nElements; i++){ |
| 69 |
index3 = i*3; |
| 70 |
index9 = i*9; |
| 71 |
|
| 72 |
trq[index3+0] = 0.0; |
| 73 |
trq[index3+1] = 0.0; |
| 74 |
trq[index3+2] = 0.0; |
| 75 |
|
| 76 |
Amat[index9+0] = 1.0; |
| 77 |
Amat[index9+1] = 0.0; |
| 78 |
Amat[index9+2] = 0.0; |
| 79 |
|
| 80 |
Amat[index9+3] = 0.0; |
| 81 |
Amat[index9+4] = 1.0; |
| 82 |
Amat[index9+5] = 0.0; |
| 83 |
|
| 84 |
Amat[index9+6] = 0.0; |
| 85 |
Amat[index9+7] = 0.0; |
| 86 |
Amat[index9+8] = 1.0; |
| 87 |
|
| 88 |
mu[i] = 0.0; |
| 89 |
|
| 90 |
ul[index3+0] = 1.0; |
| 91 |
ul[index3+1] = 0.0; |
| 92 |
ul[index3+2] = 0.0; |
| 93 |
} |
| 94 |
|
| 95 |
arraysAllocated = true; |
| 96 |
} |
| 97 |
|
| 98 |
void SimState::destroyArrays( void ){ |
| 99 |
|
| 100 |
if(pos != NULL) delete[] pos; |
| 101 |
if(vel != NULL) delete[] vel; |
| 102 |
if(frc != NULL) delete[] frc; |
| 103 |
if(trq != NULL) delete[] trq; |
| 104 |
if(Amat != NULL) delete[] Amat; |
| 105 |
if(mu != NULL) delete[] mu; |
| 106 |
if(ul != NULL) delete[] ul; |
| 107 |
if(rc != NULL) delete[] rc; |
| 108 |
if(massRatio != NULL) delete[] massRatio; |
| 109 |
|
| 110 |
pos = NULL; |
| 111 |
vel = NULL; |
| 112 |
frc = NULL; |
| 113 |
trq = NULL; |
| 114 |
Amat = NULL; |
| 115 |
mu = NULL; |
| 116 |
ul = NULL; |
| 117 |
rc = NULL; |
| 118 |
massRatio = NULL; |
| 119 |
|
| 120 |
arraysAllocated = false; |
| 121 |
nElements = 0; |
| 122 |
} |
| 123 |
|
| 124 |
void SimState::getAtomPointers( int index, |
| 125 |
double** the_pos, |
| 126 |
double** the_vel, |
| 127 |
double** the_frc, |
| 128 |
double** the_trq, |
| 129 |
double** the_Amat, |
| 130 |
double** the_mu, |
| 131 |
double** the_ul, |
| 132 |
double** the_rc, |
| 133 |
double** the_massRatio){ |
| 134 |
int index3, index9; |
| 135 |
|
| 136 |
if( arraysAllocated ){ |
| 137 |
|
| 138 |
index3 = index*3; |
| 139 |
index9 = index*9; |
| 140 |
|
| 141 |
*the_pos = &(pos[index3]); |
| 142 |
*the_vel = &(vel[index3]); |
| 143 |
*the_frc = &(frc[index3]); |
| 144 |
*the_trq = &(trq[index3]); |
| 145 |
*the_Amat = &(Amat[index9]); |
| 146 |
*the_mu = &(mu[index]); |
| 147 |
*the_ul = &(ul[index3]); |
| 148 |
*the_rc = &(rc[index3]); |
| 149 |
*the_massRatio = &(massRatio[index]); |
| 150 |
} |
| 151 |
else{ |
| 152 |
|
| 153 |
sprintf( painCave.errMsg, |
| 154 |
"Atom %d attempted to access its arrays before they had been" |
| 155 |
" allocated\n", |
| 156 |
index ); |
| 157 |
painCave.isFatal = 1; |
| 158 |
simError(); |
| 159 |
} |
| 160 |
} |
