diff options
Diffstat (limited to 'src/GeneralizedPolynomial-Uniform/template.c')
| -rw-r--r-- | src/GeneralizedPolynomial-Uniform/template.c | 20 |
1 files changed, 17 insertions, 3 deletions
diff --git a/src/GeneralizedPolynomial-Uniform/template.c b/src/GeneralizedPolynomial-Uniform/template.c index 3cb2c38..5cb934b 100644 --- a/src/GeneralizedPolynomial-Uniform/template.c +++ b/src/GeneralizedPolynomial-Uniform/template.c @@ -421,6 +421,17 @@ int FUNCTION_NAME(/***** coordinate system *****/ #error "N_DIMS may not be > 3!" #endif +/* layout of axes and min/max ends in out_of_range_tolerance[] array */ +#define X_AXIS_MIN 0 +#define X_AXIS_MAX 1 +#define Y_AXIS_MIN 2 +#define Y_AXIS_MAX 3 +#define Z_AXIS_MIN 4 +#define Z_AXIS_MAX 5 +#if (N_DIMS > 3) + #error "N_DIMS may not be > 3!" +#endif + /* basic sanity check on molecule size */ #define MOLECULE_M_COUNT (MOLECULE_MAX_M - MOLECULE_MIN_M + 1) #if (MOLECULE_SIZE != MOLECULE_M_COUNT) @@ -740,8 +751,9 @@ int pt; = LocalInterp_molecule_posn(origin_x, delta_x, input_array_min_subscripts[X_AXIS], input_array_max_subscripts[X_AXIS], - out_of_range_tolerance[X_AXIS], MOLECULE_SIZE, + out_of_range_tolerance[X_AXIS_MIN], + out_of_range_tolerance[X_AXIS_MAX], interp_coords_fp[X_AXIS], &x_temp, (int *) NULL, (int *) NULL); @@ -753,8 +765,9 @@ int pt; = LocalInterp_molecule_posn(origin_y, delta_y, input_array_min_subscripts[Y_AXIS], input_array_max_subscripts[Y_AXIS], - out_of_range_tolerance[Y_AXIS], MOLECULE_SIZE, + out_of_range_tolerance[Y_AXIS_MIN], + out_of_range_tolerance[Y_AXIS_MAX], interp_coords_fp[Y_AXIS], &y_temp, (int *) NULL, (int *) NULL); @@ -766,8 +779,9 @@ int pt; = LocalInterp_molecule_posn(origin_z, delta_z, input_array_min_subscripts[Z_AXIS], input_array_max_subscripts[Z_AXIS], - out_of_range_tolerance[Z_AXIS], MOLECULE_SIZE, + out_of_range_tolerance[Z_AXIS_MIN], + out_of_range_tolerance[Z_AXIS_MAX], interp_coords_fp[Z_AXIS], &z_temp, (int *) NULL, (int *) NULL); |