| 69 |
|
} |
| 70 |
|
|
| 71 |
|
void DirectionalAtom::setI( double the_I[3][3] ){ |
| 72 |
+ |
|
| 73 |
+ |
int n_linear_coords, i, j; |
| 74 |
|
|
| 75 |
|
Ixx = the_I[0][0]; Ixy = the_I[0][1]; Ixz = the_I[0][2]; |
| 76 |
|
Iyx = the_I[1][0]; Iyy = the_I[1][1]; Iyz = the_I[1][2]; |
| 77 |
|
Izx = the_I[2][0]; Izy = the_I[2][1]; Izz = the_I[2][2]; |
| 78 |
+ |
|
| 79 |
+ |
n_linear_coords = 0; |
| 80 |
+ |
|
| 81 |
+ |
for (i = 0; i<3; i++) { |
| 82 |
+ |
if (fabs(the_I[i][i]) < momIntTol) { |
| 83 |
+ |
is_linear = true; |
| 84 |
+ |
n_linear_coords++; |
| 85 |
+ |
linear_axis = i; |
| 86 |
+ |
} |
| 87 |
+ |
} |
| 88 |
+ |
|
| 89 |
+ |
if (n_linear_coords > 1) { |
| 90 |
+ |
sprintf( painCave.errMsg, |
| 91 |
+ |
"DirectionalAtom error.\n" |
| 92 |
+ |
"\tOOPSE was told to set more than one axis in this\n" |
| 93 |
+ |
"\tDirectionalAtom to a vanishing moment of inertia.\n" |
| 94 |
+ |
"\tThis should not be a DirectionalAtom. Use an Atom.\n" |
| 95 |
+ |
); |
| 96 |
+ |
painCave.isFatal = 1; |
| 97 |
+ |
simError(); |
| 98 |
+ |
} |
| 99 |
+ |
|
| 100 |
+ |
|
| 101 |
|
} |
| 102 |
|
|
| 103 |
|
void DirectionalAtom::setQ( double the_q[4] ){ |
