diff --git a/vermouth/tests/rcsu/test_read_go_map.py b/vermouth/tests/rcsu/test_read_go_map.py index 54049f59f..942c8eed4 100644 --- a/vermouth/tests/rcsu/test_read_go_map.py +++ b/vermouth/tests/rcsu/test_read_go_map.py @@ -27,20 +27,32 @@ R 1 1 LYS A 1 2 VAL A 2 3.8094 1 1 1 1 11 369 0 R 6 1 LYS A 1 40 THR A 40 5.4657 1 1 1 1 222 238 0 - R 13 2 VAL A 2 37 ASN A 37 7.9443 0 1 0 0 -75 75 0 - R 15 2 VAL A 2 39 ASN A 39 4.2809 1 1 1 0 -13 121 0 + R 13 2 VAL A 2 37 ASN A 37 7.9443 0 1 0 1 -75 75 0 + R 15 2 VAL A 2 39 ASN A 39 4.2809 0 1 1 1 -13 121 0 """, [(1, "A", 2, "A"), (1, "A", 40, "A"), (2, "A", 37, "A"), (2, "A", 39, "A")] ), + # two sets of contacts same chain but skip two non-OV/rCSU + (""" + ID I1 AA C I(PDB) I2 AA C I(PDB) DCA CMs rCSU Count Model + ============================================================================================ + R 1 1 LYS A 1 2 VAL A 2 3.8094 1 1 1 1 11 369 0 + + R 6 1 LYS A 1 40 THR A 40 5.4657 0 1 1 0 222 238 0 + R 13 2 VAL A 2 37 ASN A 37 7.9443 0 1 0 0 -75 75 0 + R 15 2 VAL A 2 39 ASN A 39 4.2809 0 1 1 1 -13 121 0 + """, + [(1, "A", 2, "A"), (2, "A", 39, "A")] + ), # two sets of contacts different chains - ((""" + (""" ID I1 AA C I(PDB) I2 AA C I(PDB) DCA CMs rCSU Count Model ============================================================================================ R 1 1 LYS A 1 2 VAL B 2 3.8094 1 1 1 1 11 369 0 R 6 1 LYS A 1 40 THR B 40 5.4657 1 1 1 1 222 238 0 - R 13 2 VAL C 2 37 ASN D 37 7.9443 0 1 0 0 -75 75 0 - R 15 2 VAL C 2 39 ASN D 39 4.2809 1 1 1 0 -13 121 0 - """), + R 13 2 VAL C 2 37 ASN D 37 7.9443 0 1 0 1 -75 75 0 + R 15 2 VAL C 2 39 ASN D 39 4.2809 0 1 1 1 -13 121 0 + """, [(1, "A", 2, "B"), (1, "A", 40, "B"), (2, "C", 37, "D"), (2, "C", 39, "D")] ))) def test_go_map(tmp_path, lines, contacts):