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Verified Commit 8ce60a37 authored by Xavier Robin's avatar Xavier Robin
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doc: SCHWED-5783 values for unmapped ligands

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modules/mol/alg/pymod/ligand_scoring.py
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...@@ -588,6 +588,9 @@ class LigandScorer: ...@@ -588,6 +588,9 @@ class LigandScorer:
Target ligands are in rows, model ligands in columns. Target ligands are in rows, model ligands in columns.
Infinite values indicate that no RMSD could be computed (i.e. different
ligands).
:rtype: :class:`~numpy.ndarray` :rtype: :class:`~numpy.ndarray`
""" """
if self._rmsd_full_matrix is None: if self._rmsd_full_matrix is None:
...@@ -608,6 +611,9 @@ class LigandScorer: ...@@ -608,6 +611,9 @@ class LigandScorer:
Target ligands are in rows, model ligands in columns. Target ligands are in rows, model ligands in columns.
A value of 0 indicate that no lDDT-PLI could be computed (i.e. different
ligands).
:rtype: :class:`~numpy.ndarray` :rtype: :class:`~numpy.ndarray`
""" """
if self._lddt_pli_full_matrix is None: if self._lddt_pli_full_matrix is None:
......
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