From 62cd6b8d9321581e2f7ac79c71bfbc7c6348c7bf Mon Sep 17 00:00:00 2001 From: Ben Webb Date: Tue, 29 Oct 2024 16:22:01 -0700 Subject: [PATCH] Squashed 'modules/pmi/' changes from 6103587aa0..498bd81adc 498bd81adc Work around wrong model group IDs in python-ihm 1.7 77bbdbef10 Include extra 3D-EM-restraint-related fields git-subtree-dir: modules/pmi git-subtree-split: 498bd81adcb90e69f9b99ce04198f3183baab177 --- modules/pmi/test/test_mmcif.py | 20 ++++++++++++++------ 1 file changed, 14 insertions(+), 6 deletions(-) diff --git a/modules/pmi/test/test_mmcif.py b/modules/pmi/test/test_mmcif.py index 46e88b4607..31a755fd2c 100644 --- a/modules/pmi/test/test_mmcif.py +++ b/modules/pmi/test/test_mmcif.py @@ -1123,6 +1123,8 @@ def test_ensemble_dumper(self): """Test dumping of simple ensembles""" class DummyPostProcess: pass + class DummyModel: + pass m = IMP.Model() s = IMP.pmi.topology.System(m) po = IMP.pmi.mmcif.ProtocolOutput() @@ -1131,10 +1133,14 @@ class DummyPostProcess: pp = DummyPostProcess() pp._id = 99 - po._add_simple_ensemble(pp, 'Ensemble 1', 5, 0.1, 1, - {}, None) - po._add_simple_ensemble(pp, 'Ensemble 2', 5, 0.1, 1, - {}, None) + e = po._add_simple_ensemble(pp, 'Ensemble 1', 5, 0.1, 1, + {}, None) + # Work around python-ihm 1.7 not handling IDs of empty model + # groups properly + e.model_group.append(DummyModel()) + e = po._add_simple_ensemble(pp, 'Ensemble 2', 5, 0.1, 1, + {}, None) + e.model_group.append(DummyModel()) loc = ihm.location.InputFileLocation(repo='foo', path='bar') po.set_ensemble_file(1, loc) loc._id = 42 @@ -1801,11 +1807,13 @@ class DummyProtocolStep: _ihm_3dem_restraint.fitting_method _ihm_3dem_restraint.fitting_method_citation_id _ihm_3dem_restraint.struct_assembly_id +_ihm_3dem_restraint.map_segment_flag _ihm_3dem_restraint.number_of_gaussians _ihm_3dem_restraint.model_id _ihm_3dem_restraint.cross_correlation_coefficient -1 4 'Gaussian mixture models' . 2 2 5 0.100 -2 4 'Gaussian mixture models' . 2 2 9 0.200 +_ihm_3dem_restraint.details +1 4 'Gaussian mixture models' . 2 . 2 5 0.100 . +2 4 'Gaussian mixture models' . 2 . 2 9 0.200 . # """)