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] ){ |