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James Graham
pycgtool
Commits
5c620226
Verified
Commit
5c620226
authored
4 years ago
by
James Graham
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fix: pass missing parameter for frame reader
parent
c44ed8fa
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pycgtool/frame.py
+2
-2
2 additions, 2 deletions
pycgtool/frame.py
with
2 additions
and
2 deletions
pycgtool/frame.py
+
2
−
2
View file @
5c620226
...
...
@@ -111,7 +111,7 @@ class Frame:
"""
Hold Atom data separated into Residues
"""
def
__init__
(
self
,
gro
=
None
,
xtc
=
None
,
itp
=
None
,
frame_start
=
0
,
xtc_reader
=
"
simpletraj
"
):
def
__init__
(
self
,
gro
=
None
,
xtc
=
None
,
itp
=
None
,
frame_start
=
0
,
xtc_reader
=
None
):
"""
Return Frame instance having read Residues and Atoms from GRO if provided
...
...
@@ -132,7 +132,7 @@ class Frame:
if
gro
is
not
None
:
from
.framereader
import
get_frame_reader
self
.
_trajreader
=
get_frame_reader
(
gro
,
traj
=
xtc
,
frame_start
=
frame_start
)
self
.
_trajreader
=
get_frame_reader
(
gro
,
traj
=
xtc
,
frame_start
=
frame_start
,
name
=
xtc_reader
)
self
.
_trajreader
.
initialise_frame
(
self
)
...
...
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