From 117014726aff37cff2709fced784a8e531569260 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Fri, 17 May 2024 18:24:07 +0200
Subject: [PATCH] lddt: remove process_model_out pro-flag
---
modules/mol/alg/pymod/lddt.py | 20 +++++++-------------
1 file changed, 7 insertions(+), 13 deletions(-)
diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py
index cc9d96086..ac2458a51 100644
--- a/modules/mol/alg/pymod/lddt.py
+++ b/modules/mol/alg/pymod/lddt.py
@@ -431,7 +431,7 @@ class lDDTScorer:
no_intrachain=False, penalize_extra_chains=False,
residue_mapping=None, return_dist_test=False,
check_resnames=True, add_mdl_contacts=False,
- process_model_out=None, interaction_data=None):
+ interaction_data=None):
"""Computes lDDT of *model* - globally and per-residue
:param model: Model to be scored - models are preferably scored upon
@@ -521,8 +521,6 @@ class lDDTScorer:
be added if the respective atom pair is not
resolved in the target.
:type add_mdl_contacts: :class:`bool`
- :param process_model_out: Pro param - don't use
- :type process_model_out: :class:`tuple`
:param interaction_data: Pro param - don't use
:type interaction_data: :class:`tuple`
@@ -555,16 +553,12 @@ class lDDTScorer:
# data objects defining model data - see _ProcessModel for rough
# description
- if process_model_out is None:
- pos, res_ref_atom_indices, res_atom_indices, res_atom_hashes, \
- res_indices, ref_res_indices, symmetries = \
- self._ProcessModel(model, chain_mapping,
- residue_mapping = residue_mapping,
- thresholds = thresholds,
- check_resnames = check_resnames)
- else:
- pos, res_ref_atom_indices, res_atom_indices, res_atom_hashes, \
- res_indices, symmetries = process_model_out
+ pos, res_ref_atom_indices, res_atom_indices, res_atom_hashes, \
+ res_indices, ref_res_indices, symmetries = \
+ self._ProcessModel(model, chain_mapping,
+ residue_mapping = residue_mapping,
+ thresholds = thresholds,
+ check_resnames = check_resnames)
if no_interchain and no_intrachain:
raise RuntimeError("no_interchain and no_intrachain flags are "
--
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