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-rw-r--r--src/GeneralizedPolynomial-Uniform/test_molecule_posn.c447
1 files changed, 227 insertions, 220 deletions
diff --git a/src/GeneralizedPolynomial-Uniform/test_molecule_posn.c b/src/GeneralizedPolynomial-Uniform/test_molecule_posn.c
index bd3a1f9..4f6a5f5 100644
--- a/src/GeneralizedPolynomial-Uniform/test_molecule_posn.c
+++ b/src/GeneralizedPolynomial-Uniform/test_molecule_posn.c
@@ -7,11 +7,27 @@
* Usage:
* test_molecule_posn # run a preset set of tests
* test_molecule_posn molecule_size \
- * out_of_range_tolerance_min \
- * out_of_range_tolerance_max \
+ * boundary_off_centering_tolerance_min \
+ * boundary_off_centering_tolerance_max \
+ * boundary_extrapolation_tolerance_min \
+ * boundary_extrapolation_tolerance_max \
+ * boundary_off_centering_tolerance_max \
* x # do a single test as specified
*/
+const char* help_msg =
+"usage:\n"
+"# run a preset series of tests:\n"
+" test_molecule_posn\n"
+"# run a single test as specified:\n"
+" test_molecule_posn molecule_size \\\n"
+" boundary_off_centering_tolerance_min \\\n"
+" boundary_off_centering_tolerance_max \\\n"
+" boundary_extrapolation_tolerance_min \\\n"
+" boundary_extrapolation_tolerance_max \\\n"
+" x\n"
+;
+
#include <math.h>
#include <string.h>
#include <limits.h>
@@ -39,8 +55,10 @@ const int grid_i_max = 105; /* x_max = 13.6 */
*/
static
void run_interactive_test(int molecule_size,
- fp out_of_range_tolerance_min,
- fp out_of_range_tolerance_max,
+ fp boundary_off_centering_tolerance_min,
+ fp boundary_off_centering_tolerance_max,
+ fp boundary_extrapolation_tolerance_min,
+ fp boundary_extrapolation_tolerance_max,
fp x);
static
int run_batch_tests(void);
@@ -56,152 +74,135 @@ struct args_results
{
/* args */
int molecule_size;
- fp out_of_range_tolerance_min;
- fp out_of_range_tolerance_max;
+ fp boundary_off_centering_tolerance_min;
+ fp boundary_off_centering_tolerance_max;
+ fp boundary_extrapolation_tolerance_min;
+ fp boundary_extrapolation_tolerance_max;
fp x;
/* results */
+ int status;
int i_center;
fp x_rel;
- int m_min, m_max;
};
/* test data */
+#define OK 0
+#define X_LT_MIN MOLECULE_POSN_ERROR_X_LT_MIN
+#define X_GT_MAX MOLECULE_POSN_ERROR_X_GT_MAX
static const struct args_results test_data[] =
{
- /* molecule size 2 */
- { 2, 1.0, 1.0e-12, 7.19, INT_MIN, -1.1, 0,+1 },
- { 2, 1.0, 1.0e-12, 7.21, 42, -0.9, 0,+1 },
- { 2, 1.0, 1.0e-12, 7.24, 42, -0.6, 0,+1 },
- { 2, 1.0, 1.0e-12, 7.26, 42, -0.4, 0,+1 },
- { 2, 1.0, 1.0e-12, 7.29, 42, -0.1, 0,+1 },
- { 2, -1.0, 1.0e-12, 7.29, INT_MIN, -0.1, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 7.3, 42, 0.0, 0,+1 },/* grid_x_min */
- { 2, 1.0e-12, 1.0e-12, 7.31, 42, +0.1, 0,+1 },
- { 2, -1.0 , 1.0e-12, 7.31, 42, +0.1, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 7.35, 42, +0.5, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 7.39, 42, +0.9, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 7.41, 43, 0.1, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 9.81, 67, +0.1, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 9.85, 67, +0.5, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 9.89, 67, +0.9, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 13.45, 103, +0.5, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 13.51, 104, +0.1, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 13.55, 104, +0.5, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 13.59, 104, +0.9, 0,+1 },
- { 2, 1.0e-12, -1.0, 13.59, 104, +0.9, 0,+1 },
- { 2, 1.0e-12, 1.0e-12, 13.6, 104, +1.0, 0,+1 },/* grid_x_max */
- { 2, 1.0e-12, 1.0, 13.61, 104, +1.1, 0,+1 },
- { 2, 1.0e-12, -1.0, 13.61, INT_MAX, +1.1, 0,+1 },
- { 2, 1.0e-12, 1.0, 13.65, 104, +1.5, 0,+1 },
- { 2, 1.0e-12, 1.0, 13.69, 104, +1.9, 0,+1 },
- { 2, 1.0e-12, 1.0, 13.71, INT_MAX, +2.1, 0,+1 },
-
- /* molecule size 3 */
- { 3, 1.0, 1.0e-12, 7.19, INT_MIN, -2.1, -1,+1 },
- { 3, 1.0, 1.0e-12, 7.21, 43, -1.9, -1,+1 },
- { 3, 1.0, 1.0e-12, 7.24, 43, -1.6, -1,+1 },
- { 3, 1.0, 1.0e-12, 7.26, 43, -1.4, -1,+1 },
- { 3, 1.0, 1.0e-12, 7.29, 43, -1.1, -1,+1 },
- { 3, -1.0, 1.0e-12, 7.29, INT_MIN, -1.1, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.3, 43, -1.0, -1,+1 },/* grid_x_min */
- { 3, 1.0e-12, 1.0e-12, 7.31, 43, -0.9, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.34, 43, -0.6, -1,+1 },
- { 3, -1.0, 1.0e-12, 7.34, INT_MIN, -0.6, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.36, 43, -0.4, -1,+1 },
- { 3, -1.0, 1.0e-12, 7.36, 43, -0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.39, 43, -0.1, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.4, 43, 0.0, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.44, 43, +0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 7.46, 44, -0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 9.8, 67, 0.0, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 9.81, 67, +0.1, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 9.84, 67, +0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 9.86, 68, -0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 9.89, 68, -0.1, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 9.9, 68, 0.0, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.44, 103, +0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.46, 104, -0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.5, 104, 0.0, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.51, 104, +0.1, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.54, 104, +0.4, -1,+1 },
- { 3, 1.0e-12, -1.0, 13.54, 104, +0.4, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.56, 104, +0.6, -1,+1 },
- { 3, 1.0e-12, -1.0, 13.56, INT_MAX, +0.6, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.59, 104, +0.9, -1,+1 },
- { 3, 1.0e-12, 1.0e-12, 13.6, 104, +1.0, -1,+1 },/* grid_x_max */
- { 3, 1.0e-12, 1.0, 13.61, 104, +1.1, -1,+1 },
- { 3, 1.0e-12, 1.0, 13.65, 104, +1.5, -1,+1 },
- { 3, 1.0e-12, 1.0, 13.69, 104, +1.9, -1,+1 },
- { 3, 1.0e-12, 1.0, 13.71, INT_MAX, +2.1, -1,+1 },
-
- /* molecule size 4 */
- { 4, 0.2, 1.0e-12, 7.27, INT_MIN, -1.3, -1,+2 },
- { 4, 0.2, 1.0e-12, 7.29, 43, -1.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 7.3, 43, -1.0, -1,+2 },/* grid_x_min */
- { 4, 1.0e-12, 1.0e-12, 7.33, 43, -0.7, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 7.39, 43, -0.1, -1,+2 },
- { 4, -1.0, 1.0e-12, 7.39, INT_MIN, -0.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 7.4, 43, 0.0, -1,+2 },
- { 4, -1.0, 1.0e-12, 7.41, 43, +0.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 7.42, 43, +0.2, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 7.48, 43, +0.8, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 7.51, 44, +0.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 9.81, 67, +0.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 9.85, 67, +0.5, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 9.89, 67, +0.9, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.39, 102, +0.9, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.41, 103, +0.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.48, 103, +0.8, -1,+2 },
- { 4, 1.0e-12, -1.0, 13.48, 103, +0.8, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.5, 103, +1.0, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.51, 103, +1.1, -1,+2 },
- { 4, 1.0e-12, -1.0, 13.51, INT_MAX, +1.1, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.55, 103, +1.5, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.59, 103, +1.9, -1,+2 },
- { 4, 1.0e-12, 1.0e-12, 13.6, 103, +2.0, -1,+2 },/* grid_x_max */
- { 4, 1.0e-12, 2.0, 13.79, 103, +3.9, -1,+2 },
- { 4, 1.0e-12, 2.0, 13.81, INT_MAX, +4.1, -1,+2 },
-
- /* molecule size 5 */
- { 5, 3.0, 1.0e-12, 6.99, INT_MIN, -5.1, -2,+2 },
- { 5, 3.0, 1.0e-12, 7.01, 44, -4.9, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.3, 44, -2.0, -2,+2 },/* grid_x_min */
- { 5, 1.0e-12, 1.0e-12, 7.4, 44, -1.0, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.44, 44, -0.6, -2,+2 },
- { 5, -1.0, 1.0e-12, 7.44, INT_MIN, -0.6, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.46, 44, -0.4, -2,+2 },
- { 5, -1.0, 1.0e-12, 7.46, 44, -0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.49, 44, -0.1, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.5, 44, 0.0, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.54, 44, +0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.56, 45, -0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.6, 45, 0.0, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 7.64, 45, +0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 9.8, 67, 0.0, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 9.81, 67, +0.1, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 9.84, 67, +0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 9.86, 68, -0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 9.89, 68, -0.1, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 9.9, 68, 0.0, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.34, 102, +0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.36, 103, -0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.39, 103, -0.1, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.41, 103, +0.1, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.44, 103, +0.4, -2,+2 },
- { 5, 1.0e-12, -1.0, 13.44, 103, +0.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.46, 103, +0.6, -2,+2 },
- { 5, 1.0e-12, -1.0, 13.46, INT_MAX, +0.6, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.48, 103, +0.8, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.5, 103, +1.0, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.51, 103, +1.1, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.54, 103, +1.4, -2,+2 },
- { 5, 1.0e-12, -1.0, 13.54, INT_MAX, +1.4, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.56, 103, +1.6, -2,+2 },
- { 5, 1.0e-12, -1.0, 13.56, INT_MAX, +1.6, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.59, 103, +1.9, -2,+2 },
- { 5, 1.0e-12, 1.0e-12, 13.6, 103, +2.0, -2,+2 },/* grid_x_max */
- { 5, 1.0e-12, 1.5, 13.74, 103, +3.4, -2,+2 },
- { 5, 1.0e-12, 1.5, 13.76, INT_MAX, +3.6, -2,+2 },
+ /*** molecule size 2 ***/
+ /* status */
+ /* off_centering extrapolation i_center */
+ /* min max min max x x_rel */
+ { 2, 999.0, 999.0, 1.0, 999.0, 7.19, X_LT_MIN, 0, 0.0 },
+ { 2, 999.0, 999.0, 1.0, 999.0, 7.21, OK, 42, -0.9 },
+ { 2, 999.0, 999.0, 1.0, 999.0, 7.24, OK, 42, -0.6 },
+ { 2, 999.0, 999.0, 1.0, 999.0, 7.26, OK, 42, -0.4 },
+ { 2, 0.0, 0.0, 1.0, 999.0, 7.26, X_LT_MIN, 0, 0.0 },
+ { 2, 1.0e-6, 999.0, 0.2, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 2, 0.2, 999.0, 1.0e-6, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 2, 0.2, 999.0, 0.2, 999.0, 7.29, OK, 42, -0.1 },
+ { 2, 0.0, 0.0, 1.0e-6, 999.0, 7.31, OK, 42, +0.1 },
+ { 2, 0.0, 0.0, 1.0e-6, 999.0, 7.34, OK, 42, +0.4 },
+ { 2, 0.0, 0.0, 1.0e-6, 999.0, 7.36, OK, 42, +0.6 },
+ { 2, 0.0, 0.0, 1.0e-6, 999.0, 7.39, OK, 42, +0.9 },
+ { 2, 0.0, 0.0, 1.0e-6, 999.0, 7.41, OK, 43, +0.1 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 9.81, OK, 67, +0.1 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 9.84, OK, 67, +0.4 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 9.85, OK, 67, +0.5 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 9.86, OK, 67, +0.6 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 9.89, OK, 67, +0.9 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 13.45, OK, 103, +0.5 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 13.51, OK, 104, +0.1 },
+ { 2, 0.0, 0.0, 1.0e-6, 1.0e-6, 13.59, OK, 104, +0.9 },
+ { 2, 0.0, 0.2, 1.0e-6, 1.0e-6, 13.61, X_GT_MAX, 0, 0.0 },
+ { 2, 0.0, 1.0e-6, 1.0e-6, 1.0e-6, 13.61, X_GT_MAX, 0, 0.0 },
+ { 2, 0.0, 0.2, 0.0, 0.2, 13.61, OK, 104, +1.1 },
+
+ /*** molecule size 3 ***/
+ /* status */
+ /* off_centering extrapolation i_center */
+ /* min max min max x x_rel */
+ { 3, 0.5, 999.0, 999.0, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 3, 999.0, 999.0, 0.0, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 3, 0.7, 999.0, 0.2, 999.0, 7.29, OK, 43, -1.1 },
+ { 3, 0.3, 999.0, 0.0, 999.0, 7.31, X_LT_MIN, 0, 0.0 },
+ { 3, 0.5, 999.0, 0.0, 999.0, 7.31, OK, 43, -0.9 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 7.36, OK, 43, -0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 7.44, OK, 43, +0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 7.46, OK, 44, -0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 9.81, OK, 67, +0.1 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 9.84, OK, 67, +0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 9.86, OK, 68, -0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 9.89, OK, 68, -0.1 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 13.44, OK, 103, +0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 13.46, OK, 104, -0.4 },
+ { 3, 0.0, 0.0, 0.0, 0.0, 13.54, OK, 104, +0.4 },
+ { 3, 0.0, 0.2, 0.0, 0.0, 13.56, OK, 104, +0.6 },
+ { 3, 999.0, 0.0, 999.0, 999.0, 13.56, X_GT_MAX, 0, 0.0 },
+ { 3, 0.0, 0.5, 0.0, 0.0, 13.59, OK, 104, +0.9 },
+ { 3, 999.0, 0.3, 999.0, 999.0, 13.59, X_GT_MAX, 0, 0.0 },
+ { 3, 999.0, 0.5, 999.0, 999.0, 13.61, X_GT_MAX, 0, 0.0 },
+ { 3, 999.0, 999.0, 999.0, 0.0, 13.61, X_GT_MAX, 0, 0.0 },
+ { 3, 999.0, 0.7, 999.0, 0.2, 13.61, OK, 104, +1.1 },
+ { 3, 999.0, 999.0, 999.0, 0.2, 13.63, X_GT_MAX, 0, 0.0 },
+ { 3, 999.0, 0.7, 999.0, 999.0, 13.63, X_GT_MAX, 0, 0.0 },
+ { 3, 999.0, 0.9, 999.0, 0.4, 13.63, OK, 104, +1.3 },
+
+ /*** molecule size 4 ***/
+ /* status */
+ /* off_centering extrapolation i_center */
+ /* min max min max x x_rel */
+ { 4, 1.0, 999.0, 999.0, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 4, 999.0, 999.0, 0.0, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 4, 1.2, 999.0, 0.2, 999.0, 7.29, OK, 43, -1.1 },
+ { 4, 0.5, 999.0, 0.0, 999.0, 7.31, X_LT_MIN, 0, 0.0 },
+ { 4, 1.0, 999.0, 0.0, 999.0, 7.31, OK, 43, -0.9 },
+ { 4, 0.0, 999.0, 0.0, 999.0, 7.39, X_LT_MIN, 0, 0.0 },
+ { 4, 0.2, 999.0, 0.0, 999.0, 7.39, OK, 43, -0.1 },
+ { 4, 0.0, 0.0, 0.0, 999.0, 7.41, OK, 43, +0.1 },
+ { 4, 0.0, 0.0, 0.0, 999.0, 7.49, OK, 43, +0.9 },
+ { 4, 0.0, 0.0, 0.0, 999.0, 7.51, OK, 44, +0.1 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 9.81, OK, 67, +0.1 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 9.84, OK, 67, +0.4 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 9.85, OK, 67, +0.5 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 9.86, OK, 67, +0.6 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 9.89, OK, 67, +0.9 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 13.44, OK, 103, +0.4 },
+ { 4, 0.0, 0.0, 0.0, 0.0, 13.49, OK, 103, +0.9 },
+ { 4, 0.0, 0.2, 0.0, 0.0, 13.51, OK, 103, +1.1 },
+ { 4, 999.0, 0.0, 999.0, 999.0, 13.51, X_GT_MAX, 0, 0.0 },
+ { 4, 999.0, 0.8, 999.0, 0.0, 13.59, X_GT_MAX, 0, 0.0 },
+ { 4, 0.0, 1.0, 0.0, 0.0, 13.59, OK, 103, +1.9 },
+ { 4, 999.0, 999.0, 999.0, 0.0, 13.61, X_GT_MAX, 0, 0.0 },
+ { 4, 0.0, 1.0, 999.0, 999.0, 13.61, X_GT_MAX, 0, 0.0 },
+ { 4, 0.0, 1.2, 0.0, 0.2, 13.61, OK, 103, +2.1 },
+
+ /*** molecule size 5 ***/
+ /* status */
+ /* off_centering extrapolation i_center */
+ /* min max min max x x_rel */
+ { 5, 1.5, 999.0, 999.0, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 5, 999.0, 999.0, 0.0, 999.0, 7.29, X_LT_MIN, 0, 0.0 },
+ { 5, 1.7, 999.0, 0.2, 999.0, 7.29, OK, 44, -2.1 },
+ { 5, 0.9, 999.0, 0.0, 999.0, 7.35, X_LT_MIN, 0, 0.0 },
+ { 5, 1.1, 999.0, 0.0, 999.0, 7.35, OK, 44, -1.5 },
+ { 5, 0.0, 999.0, 999.0, 999.0, 7.44, X_LT_MIN, 0, 0.0 },
+ { 5, 0.2, 999.0, 0.0, 999.0, 7.44, OK, 44, -0.6 },
+ { 5, 0.0, 0.0, 0.0, 0.0, 7.46, OK, 44, -0.4 },
+ { 5, 0.0, 0.0, 0.0, 0.0, 9.81, OK, 67, +0.1 },
+ { 5, 0.0, 0.0, 0.0, 0.0, 9.84, OK, 67, +0.4 },
+ { 5, 0.0, 0.0, 0.0, 0.0, 9.86, OK, 68, -0.4 },
+ { 5, 0.0, 0.0, 0.0, 0.0, 9.89, OK, 68, -0.1 },
+ { 5, 0.0, 0.0, 0.0, 0.0, 13.44, OK, 103, +0.4 },
+ { 5, 999.0, 0.0, 999.0, 999.0, 13.46, X_GT_MAX, 0, 0.0 },
+ { 5, 0.0, 0.2, 0.0, 0.0, 13.46, OK, 103, +0.6 },
+ { 5, 0.0, 1.1, 0.0, 0.0, 13.55, OK, 103, +1.5 },
+ { 5, 999.0, 0.9, 999.0, 999.0, 13.55, X_GT_MAX, 0, 0.0 },
+ { 5, 999.0, 999.0, 999.0, 0.0, 13.61, X_GT_MAX, 0, 0.0 },
+ { 5, 999.0, 1.5, 999.0, 999.0, 13.61, X_GT_MAX, 0, 0.0 },
+ { 5, 999.0, 1.7, 999.0, 0.2, 13.61, OK, 103, +2.1 },
};
#define N_TESTS ((int) (sizeof(test_data)/sizeof(test_data[0])))
@@ -212,7 +213,10 @@ int main(int argc, const char *const argv[])
{
bool N_fail;
int molecule_size;
-double out_of_range_tolerance_min, out_of_range_tolerance_max;
+fp boundary_off_centering_tolerance_min;
+fp boundary_off_centering_tolerance_max;
+fp boundary_extrapolation_tolerance_min;
+fp boundary_extrapolation_tolerance_max;
double x;
switch (argc)
@@ -222,44 +226,34 @@ case 1:
N_fail = run_batch_tests();
if (N_fail == 0)
then {
- printf("*** all tests successful ***\n");
+ printf("*** all %d tests successful ***\n", N_TESTS);
return 0;
}
else {
- printf("*** %d test(s) failed ***\n", N_fail);
+ printf("*** %d/%d test(s) failed ***\n", N_fail, N_TESTS);
return 1;
}
-case 5:
+case 7:
if ( (sscanf(argv[1], "%d", &molecule_size) == 1)
- && (sscanf(argv[2], "%lf", &out_of_range_tolerance_min) == 1)
- && (sscanf(argv[3], "%lf", &out_of_range_tolerance_max) == 1)
- && (sscanf(argv[4], "%lf", &x) == 1) )
+ && (sscanf(argv[2], "%lf", &boundary_off_centering_tolerance_min) == 1)
+ && (sscanf(argv[3], "%lf", &boundary_off_centering_tolerance_max) == 1)
+ && (sscanf(argv[4], "%lf", &boundary_extrapolation_tolerance_min) == 1)
+ && (sscanf(argv[5], "%lf", &boundary_extrapolation_tolerance_max) == 1)
+ && (sscanf(argv[6], "%lf", &x) == 1) )
then {
run_interactive_test(molecule_size,
- out_of_range_tolerance_min,
- out_of_range_tolerance_max,
+ boundary_off_centering_tolerance_min,
+ boundary_off_centering_tolerance_max,
+ boundary_extrapolation_tolerance_min,
+ boundary_extrapolation_tolerance_max,
x);
- return 0;
+ return 0; /*** NORMAL EXIT ***/
}
- /* fall through */
+ /* error ==> fall through */
default:
- fprintf(stderr,
- "usage:\n"
- "# run a single test as specified:\n"
- " %s molecule_size \\\n"
- " %*s out_of_range_tolerance_min \\\n"
- " %*s out_of_range_tolerance_max \\\n"
- " %*s x\n"
- "# run a preset set of tests:\n"
- " %s\n"
- ,
- argv[0],
- (int) strlen(argv[0]), "",
- (int) strlen(argv[0]), "",
- (int) strlen(argv[0]), "",
- argv[0]);
+ fprintf(stderr, help_msg);
return 1;
}
}
@@ -271,33 +265,39 @@ default:
*/
static
void run_interactive_test(int molecule_size,
- fp out_of_range_tolerance_min,
- fp out_of_range_tolerance_max,
+ fp boundary_off_centering_tolerance_min,
+ fp boundary_off_centering_tolerance_max,
+ fp boundary_extrapolation_tolerance_min,
+ fp boundary_extrapolation_tolerance_max,
fp x)
{
+int i_center;
fp x_rel;
-int m_min, m_max;
printf("testing with molecule_size=%d\n", molecule_size);
-printf(" out_of_range_tolerance_[min,max]=[%g,%g]\n",
- (double) out_of_range_tolerance_min,
- (double) out_of_range_tolerance_max);
+printf(" boundary_off_centering_tolerance_[min,max]=[%g,%g]\n",
+ (double) boundary_off_centering_tolerance_min,
+ (double) boundary_off_centering_tolerance_max);
+printf(" boundary_extrapolation_tolerance_[min,max]=[%g,%g]\n",
+ (double) boundary_extrapolation_tolerance_min,
+ (double) boundary_extrapolation_tolerance_max);
printf(" x=%g\n", (double) x);
{
-const int i_center = LocalInterp_molecule_posn(grid_x0, grid_dx,
- grid_i_min, grid_i_max,
- molecule_size,
- out_of_range_tolerance_min,
- out_of_range_tolerance_max,
- x,
- &x_rel,
- &m_min, &m_max);
-
-if ((i_center == INT_MIN) || (i_center == INT_MAX))
- then printf("i_center=%d\n", i_center);
- else printf("i_center=%d x_rel=%g m_[min,max]=[%d,%d] i_[min,max]=[%d,%d]\n",
- i_center, x_rel, m_min, m_max, i_center+m_min, i_center+m_max);
+const int status
+ = LocalInterp_molecule_posn(grid_x0, grid_dx,
+ grid_i_min, grid_i_max,
+ molecule_size,
+ boundary_off_centering_tolerance_min,
+ boundary_off_centering_tolerance_max,
+ boundary_extrapolation_tolerance_min,
+ boundary_extrapolation_tolerance_max,
+ x,
+ &i_center, &x_rel);
+
+if (status < 0)
+ then printf("status=%d\n", status);
+ else printf("i_center=%d x_rel=%g\n", i_center, x_rel);
}
}
@@ -319,41 +319,48 @@ int failure_count = 0;
for (i = 0 ; i < N_TESTS ; ++i)
{
const struct args_results *p = & test_data[i];
- fp x_rel = 0.0;
- int m_min = 0, m_max = 0;
- int i_center = LocalInterp_molecule_posn(grid_x0, grid_dx,
- grid_i_min, grid_i_max,
- p->molecule_size,
- p->out_of_range_tolerance_min,
- p->out_of_range_tolerance_max,
- p->x,
- &x_rel,
- &m_min, &m_max);
- bool ok = ((i_center == INT_MIN) || (i_center == INT_MAX))
- ? (i_center == p->i_center)
- : ( (i_center == p->i_center)
- && fuzzy_EQ(x_rel, p->x_rel)
- && (m_min == p->m_min)
- && (m_max == p->m_max) );
-
- int msglen =
- printf("size=%d tol=[%g,%g] x=%g ==> ",
- p->molecule_size,
- (double) p->out_of_range_tolerance_min,
- (double) p->out_of_range_tolerance_max,
- (double) p->x);
- printf("i_center=%d x_rel=%g m=[%d,%d]\n",
- i_center, (double) x_rel, m_min, m_max);
-
- if (! ok)
- then {
+ int i_center = 999;
+ fp x_rel = 999.999;
+ const int status = LocalInterp_molecule_posn
+ (grid_x0, grid_dx,
+ grid_i_min, grid_i_max,
+ p->molecule_size,
+ p->boundary_off_centering_tolerance_min,
+ p->boundary_off_centering_tolerance_max,
+ p->boundary_extrapolation_tolerance_min,
+ p->boundary_extrapolation_tolerance_max,
+ p->x,
+ &i_center, &x_rel);
+ bool ok = (status == 0)
+ ? ( (status == p->status) && (i_center == p->i_center)
+ && fuzzy_EQ(x_rel, p->x_rel) )
+ : (status == p->status);
+
+ printf("size=%d off_centering_tol=[%g,%g] extrapolation_tol=[%g,%g] x=%g",
+ p->molecule_size,
+ (double) p->boundary_off_centering_tolerance_min,
+ (double) p->boundary_off_centering_tolerance_max,
+ (double) p->boundary_extrapolation_tolerance_min,
+ (double) p->boundary_extrapolation_tolerance_max,
+ (double) p->x);
+ printf(": status=%d", status);
+ if (status == 0)
+ then printf(" i_center=%d x_rel=%g: ",
+ i_center, (double) x_rel);
+
+ if (ok)
+ then printf(": ok\n");
+ else {
++failure_count;
- {
- int error_msglen = printf("***** FAIL: ");
- printf("%-*s", msglen-error_msglen, "expected");
- printf("i_center=%d x_rel=%g m_[min,max]=[%d,%d]\n",
- p->i_center, (double) p->x_rel, p->m_min, p->m_max);
- }
+ printf(": FAIL\n");
+ if (p->status == 0)
+ then printf("*** expected status=%d i_center=%d x_rel=%g\n",
+ p->status, p->i_center, (double) p->x_rel);
+ else printf("*** expected status=%d\n", p->status);
+ if (status == 0)
+ then printf("*** got status=%d i_center=%d x_rel=%g\n",
+ status, i_center, (double) x_rel);
+ else printf("*** got status=%d\n", status);
}
}
generated by cgit v1.2.3 (git 2.39.1) at 2024-06-01 19:32:52 +0000