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Fix MayGen test which hard coded exact coordinates, these now changed.
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@johnmay
johnmay committed Aug 21, 2023
1 parent b423427 commit f850366
Showing 1 changed file with 21 additions and 21 deletions.
42 changes: 21 additions & 21 deletions tool/structgen/src/test/java/org/openscience/cdk/structgen/maygen/MaygenTest.java
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Original file line number Diff line number Diff line change
Expand Up @@ -130,29 +130,29 @@ void test_C3Cl2H4_sdfCoordinates()
String res = sw.toString();
assertThat(res,
containsString(" 5 5 0 0 0 0 0 0 0 0999 V2000\n" +
" -0.7883 -0.4645 0.0000 C 0 0\n" +
" -2.2654 -0.7252 0.0000 Cl 0 0\n" +
" -0.2751 -1.8739 0.0000 Cl 0 0\n" +
" -0.7887 1.0364 0.0000 C 0 0\n" +
" 0.5108 0.2855 0.0000 C 0 0\n" +
" 1 2 1 0\n" +
" 1 3 1 0\n" +
" 1 4 1 0\n" +
" 1 5 1 0\n" +
" 4 5 1 0\n" +
"M END"));
" -0.7883 -0.4645 0.0000 C 0 0\n" +
" -2.2654 -0.7252 0.0000 Cl 0 0\n" +
" -0.2751 -1.8739 0.0000 Cl 0 0\n" +
" -0.7887 1.0364 0.0000 C 0 0\n" +
" 0.5108 0.2855 0.0000 C 0 0\n" +
" 1 2 1 0\n" +
" 1 3 1 0\n" +
" 1 4 1 0\n" +
" 1 5 1 0\n" +
" 4 5 1 0\n" +
"M END"));
assertThat(res,
containsString(" 5 4 0 0 0 0 0 0 0 0999 V2000\n" +
" 0.0000 1.5000 0.0000 C 0 0\n" +
" -1.2990 2.2500 0.0000 C 0 0\n" +
" 0.0000 0.0000 0.0000 C 0 0\n" +
" 1.2990 2.2500 0.0000 Cl 0 0\n" +
" -1.2990 3.7500 0.0000 Cl 0 0\n" +
" 1 2 2 0\n" +
" 1 3 1 0\n" +
" 1 4 1 4\n" +
" 2 5 1 0\n" +
"M END"));
" 0.3248 1.6875 0.0000 C 0 0\n" +
" -0.9743 0.9375 0.0000 C 0 0\n" +
" 1.6238 0.9375 0.0000 C 0 0\n" +
" 0.3248 3.1875 0.0000 Cl 0 0\n" +
" -2.2733 1.6875 0.0000 Cl 0 0\n" +
" 1 2 2 0\n" +
" 1 3 1 0\n" +
" 1 4 1 4\n" +
" 2 5 1 0\n" +
"M END"));
}

@Test
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