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schwede
openstructure
Commits
5ba1a197
Commit
5ba1a197
authored
2 years ago
by
Studer Gabriel
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scoring: bugfix
parent
a494e8b1
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1 changed file
modules/mol/alg/pymod/scoring.py
+6
-14
6 additions, 14 deletions
modules/mol/alg/pymod/scoring.py
with
6 additions
and
14 deletions
modules/mol/alg/pymod/scoring.py
+
6
−
14
View file @
5ba1a197
...
@@ -126,19 +126,11 @@ class Scorer:
...
@@ -126,19 +126,11 @@ class Scorer:
molck_settings
=
None
,
naive_chain_mapping_thresh
=
12
,
molck_settings
=
None
,
naive_chain_mapping_thresh
=
12
,
cad_score_exec
=
None
):
cad_score_exec
=
None
):
if
isinstance
(
model
,
mol
.
EntityView
):
model
=
model
.
Select
(
"
peptide=True or nucleotide=True
"
)
self
.
_model
=
mol
.
CreateEntityFromView
(
model
,
False
)
self
.
_model
=
mol
.
CreateEntityFromView
(
model
,
False
)
elif
isinstance
(
model
,
mol
.
EntityHandle
):
self
.
_model
=
model
.
Copy
()
else
:
raise
RuntimeError
(
"
model must be of type EntityView/EntityHandle
"
)
if
isinstance
(
target
,
mol
.
EntityView
):
target
=
target
.
Select
(
"
peptide=True or nucleotide=True
"
)
self
.
_target
=
mol
.
CreateEntityFromView
(
target
,
False
)
self
.
_target
=
mol
.
CreateEntityFromView
(
target
,
False
)
elif
isinstance
(
target
,
mol
.
EntityHandle
):
self
.
_target
=
target
.
Copy
()
else
:
raise
RuntimeError
(
"
model must be of type EntityView/EntityHandle
"
)
# catch models which have empty chain names
# catch models which have empty chain names
for
ch
in
self
.
_model
.
chains
:
for
ch
in
self
.
_model
.
chains
:
...
@@ -289,9 +281,9 @@ class Scorer:
...
@@ -289,9 +281,9 @@ class Scorer:
:type: :class:``
:type: :class:``
"""
"""
if
self
.
_aln
is
None
:
if
self
.
_
stereochecked_
aln
is
None
:
self
.
_compute_stereochecked_aln
()
self
.
_compute_stereochecked_aln
()
return
self
.
_aln
return
self
.
_
stereochecked_
aln
@property
@property
def
stereochecked_model
(
self
):
def
stereochecked_model
(
self
):
...
...
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