| /dports/science/py-qcengine/qcengine-0.21.0/qcengine/tests/ |
| H A D | test_mdi.py | 6 from qcelemental.testing import compare_values
41 assert compare_values(expected, coords, atol=1.0e-7)
47 assert compare_values(expected, coords, atol=1.0e-7)
53 assert compare_values(expected, elements, atol=1.0e-7)
58 assert compare_values(expected, masses, atol=1.0e-6)
63 assert compare_values(expected, energy, atol=1.0e-6)
72 assert compare_values(expected, forces, atol=1.0e-6)
78 assert compare_values(expected, masses, atol=1.0e-7)
83 assert compare_values(expected, totcharge, atol=1.0e-7)
96 assert compare_values(expected, totcharge, atol=1.0e-7)
[all …]
|
| /dports/science/py-qcengine/qcengine-0.21.0/qcengine/programs/tests/ |
| H A D | test_nwchem.py | 5 from qcelemental.testing import compare_values
71 assert compare_values(-55.554037, res["return_result"], atol=1e-3)
82 assert compare_values(-55.554037, res["properties"]["return_energy"], atol=1e-3)
92 assert compare_values(-3.5980754370e-02, res.return_result[0, 0], atol=1e-3)
93 assert compare_values(0, res.return_result[1, 0], atol=1e-3)
94 assert compare_values(0.018208307756, res.return_result[3, 0], atol=1e-3)
123 assert not compare_values(4.22418267e-2, res_shifted["return_result"][2], atol=1e-7)
164 assert compare_values(-75.764944, res["return_result"], atol=1e-3)
175 assert compare_values(-75.764944, res["properties"]["return_energy"], atol=1e-3)
208 assert compare_values(-75.968095, res["return_result"], atol=1e-3)
[all …]
|
| H A D | test_dftd3_mp2d.py | 1588 assert compare_values(
1591 assert compare_values(
1602 assert compare_values(
1605 assert compare_values(
1665 assert compare_values(
1746 assert compare_values(
1857 assert compare_values(
1864 assert compare_values(
1914 assert compare_values(
1974 assert compare_values(
[all …]
|
| H A D | test_mrchem.py | 5 from qcelemental.testing import compare_values
40 assert compare_values(-76.4546307, res["return_result"], atol=1e-3)
46 assert compare_values(-76.4546307, res["properties"]["return_energy"], atol=1e-3)
51 …assert compare_values([-3.766420e-07, 0.0, 0.720473], res["properties"]["scf_dipole_moment"], atol…
74 …assert compare_values([-3.766420e-07, 0.0, 0.720473], res["return_result"]["dipole_moment"]["dip-1…
80 assert compare_values(-76.4546307, res["properties"]["return_energy"], atol=1e-3)
85 …assert compare_values([-3.766420e-07, 0.0, 0.720473], res["properties"]["scf_dipole_moment"], atol…
|
| /dports/lang/gcc12-devel/gcc-12-20211205/gcc/lto/ |
| H A D | lto-common.c | 1085 #define compare_values(X) \ in compare_tree_sccs_1() macro
1091 compare_values (TREE_CODE); in compare_tree_sccs_1()
1115 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1116 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1118 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1168 compare_values (DECL_MODE); in compare_tree_sccs_1()
1186 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1216 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1258 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1263 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/devel/avr-gcc/gcc-10.2.0/gcc/lto/ |
| H A D | lto-common.c | 1082 #define compare_values(X) \ in compare_tree_sccs_1() macro
1088 compare_values (TREE_CODE); in compare_tree_sccs_1()
1108 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1109 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1111 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1161 compare_values (DECL_MODE); in compare_tree_sccs_1()
1179 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1208 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1250 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1255 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc11-devel/gcc-11-20211009/gcc/lto/ |
| H A D | lto-common.c | 1085 #define compare_values(X) \ in compare_tree_sccs_1() macro
1091 compare_values (TREE_CODE); in compare_tree_sccs_1()
1115 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1116 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1118 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1168 compare_values (DECL_MODE); in compare_tree_sccs_1()
1186 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1215 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1257 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1262 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/lto/ |
| H A D | lto-common.c | 1085 #define compare_values(X) \ in compare_tree_sccs_1() macro
1091 compare_values (TREE_CODE); in compare_tree_sccs_1()
1115 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1116 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1118 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1168 compare_values (DECL_MODE); in compare_tree_sccs_1()
1186 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1215 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1257 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1262 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc10/gcc-10.3.0/gcc/lto/ |
| H A D | lto-common.c | 1084 #define compare_values(X) \ in compare_tree_sccs_1() macro
1090 compare_values (TREE_CODE); in compare_tree_sccs_1()
1114 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1115 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1117 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1167 compare_values (DECL_MODE); in compare_tree_sccs_1()
1185 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1214 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1256 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1261 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc11/gcc-11.2.0/gcc/lto/ |
| H A D | lto-common.c | 1085 #define compare_values(X) \ in compare_tree_sccs_1() macro
1091 compare_values (TREE_CODE); in compare_tree_sccs_1()
1115 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1116 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1118 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1168 compare_values (DECL_MODE); in compare_tree_sccs_1()
1186 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1215 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1257 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1262 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc10-devel/gcc-10-20211008/gcc/lto/ |
| H A D | lto-common.c | 1084 #define compare_values(X) \ in compare_tree_sccs_1() macro
1090 compare_values (TREE_CODE); in compare_tree_sccs_1()
1114 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1115 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1117 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1167 compare_values (DECL_MODE); in compare_tree_sccs_1()
1185 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1214 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1256 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1261 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/science/py-qcelemental/qcelemental-0.24.0/qcelemental/tests/ |
| H A D | test_molparse_align_chiral.py | 4 from qcelemental.testing import compare, compare_values
39 assert compare_values(1.093e-4, data["rmsd"], "bromochlorofluoromethane R, S", atol=1.0e-4)
129 assert compare_values(5.411e-3, data["rmsd"], "2-chloro-3-bromobutane RR, SS", atol=1.0e-3)
138 assert compare_values(1.095, data["rmsd"], "2-chloro-3-bromobutane RR, SR", atol=1.0)
146 assert compare_values(1.092, data["rmsd"], "2-chloro-3-bromobutane RR, RS", atol=1.0)
154 assert compare_values(8.652e-3, data["rmsd"], "2-chloro-3-bromobutane RS, SR", atol=2.0e-3)
244 assert compare_values(1.562, data["rmsd"], "2,3-dibromobutane RR, RS", atol=1.0e-1)
252 assert compare_values(1.296e-2, data["rmsd"], "2,3-dibromobutane RR, SS", atol=1.0e-3)
261 assert compare_values(1.560, data["rmsd"], "2,3-dibromobutane SS, RS", atol=1.0e-1)
270 …assert compare_values(4.534e-2, data["rmsd"], "2,3-dibromobutane SR, RS (force non-mirror)", atol=…
[all …]
|
| /dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/gcc/lto/ |
| H A D | lto.c | 1171 #define compare_values(X) \ in compare_tree_sccs_1() macro
1177 compare_values (TREE_CODE); in compare_tree_sccs_1()
1197 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1198 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1200 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1245 compare_values (DECL_MODE); in compare_tree_sccs_1()
1263 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1290 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1336 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1343 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc9/gcc-9.4.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/devel/riscv64-gcc/gcc-8.3.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc9-aux/gcc-9.1.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc9-devel/gcc-9-20211007/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc8/gcc-8.5.0/gcc/lto/ |
| H A D | lto.c | 1017 #define compare_values(X) \ in compare_tree_sccs_1() macro
1023 compare_values (TREE_CODE); in compare_tree_sccs_1()
1043 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1044 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1046 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1096 compare_values (DECL_MODE); in compare_tree_sccs_1()
1114 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1142 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1183 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1189 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gcc6-aux/gcc-6-20180516/gcc/lto/ |
| H A D | lto.c | 1015 #define compare_values(X) \ in compare_tree_sccs_1() macro
1021 compare_values (TREE_CODE); in compare_tree_sccs_1()
1041 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1042 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1044 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1094 compare_values (DECL_MODE); in compare_tree_sccs_1()
1112 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1139 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1180 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1186 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/lang/gnat_util/gcc-6-20180516/gcc/lto/ |
| H A D | lto.c | 1015 #define compare_values(X) \ in compare_tree_sccs_1() macro
1021 compare_values (TREE_CODE); in compare_tree_sccs_1()
1041 compare_values (TREE_NOTHROW); in compare_tree_sccs_1()
1042 compare_values (TREE_STATIC); in compare_tree_sccs_1()
1044 compare_values (TREE_PRIVATE); in compare_tree_sccs_1()
1094 compare_values (DECL_MODE); in compare_tree_sccs_1()
1112 compare_values (DECL_PACKED); in compare_tree_sccs_1()
1139 compare_values (DECL_WEAK); in compare_tree_sccs_1()
1180 compare_values (TYPE_MODE); in compare_tree_sccs_1()
1186 compare_values (TYPE_FINAL_P); in compare_tree_sccs_1()
[all …]
|
| /dports/textproc/py-agate/agate-1.6.3/agate/table/ |
| H A D | homogenize.py | 8 def homogenize(self, key, compare_values, default_row=None): argument
53 if any(not utils.issequence(compare_value) for compare_value in compare_values):
54 compare_values = [[compare_value] for compare_value in compare_values]
59 …compare_values = [[column_values[i].data_type.cast(v) for i, v in enumerate(values)] for values in…
62 differences = list(set(map(tuple, compare_values)) - set(column_values))
|