diff --git a/package/CHANGELOG b/package/CHANGELOG index fde15a13d26..ff7c4c03518 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -19,6 +19,7 @@ The rules for this file: * 2.4.0 Fixes + * hbond analysis: access hbonds results through new results member in count_by_ids() and count_by_type() * Added isolayer selection method (Issue #3845) * Auxiliary; determination of representative frames: Removed undefined behaviour for cutoff values < -1 (PR # 3749) diff --git a/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py b/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py index 088d5999c66..2d2dcf07211 100644 --- a/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py +++ b/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py @@ -797,8 +797,8 @@ def count_by_type(self): acceptor atoms in a hydrogen bond. """ - d = self.u.atoms[self.hbonds[:, 1].astype(np.intp)] - a = self.u.atoms[self.hbonds[:, 3].astype(np.intp)] + d = self.u.atoms[self.results.hbonds[:, 1].astype(np.intp)] + a = self.u.atoms[self.results.hbonds[:, 3].astype(np.intp)] tmp_hbonds = np.array([d.resnames, d.types, a.resnames, a.types], dtype=str).T @@ -826,9 +826,9 @@ def count_by_ids(self): in a hydrogen bond. """ - d = self.u.atoms[self.hbonds[:, 1].astype(np.intp)] - h = self.u.atoms[self.hbonds[:, 2].astype(np.intp)] - a = self.u.atoms[self.hbonds[:, 3].astype(np.intp)] + d = self.u.atoms[self.results.hbonds[:, 1].astype(np.intp)] + h = self.u.atoms[self.results.hbonds[:, 2].astype(np.intp)] + a = self.u.atoms[self.results.hbonds[:, 3].astype(np.intp)] tmp_hbonds = np.array([d.ids, h.ids, a.ids]).T hbond_ids, ids_counts = np.unique(tmp_hbonds, axis=0,