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schwede
openstructure
Commits
bca9cd36
Commit
bca9cd36
authored
1 year ago
by
Studer Gabriel
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mmcif writer: remove the requirement of IOProfile
IOProfile was never used in any of the functionalities in MMCifWriter
parent
529ccde9
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3 changed files
modules/io/pymod/export_mmcif_io.cc
+1
-1
1 addition, 1 deletion
modules/io/pymod/export_mmcif_io.cc
modules/io/src/mol/mmcif_writer.cc
+1
-2
1 addition, 2 deletions
modules/io/src/mol/mmcif_writer.cc
modules/io/src/mol/mmcif_writer.hh
+1
-2
1 addition, 2 deletions
modules/io/src/mol/mmcif_writer.hh
with
3 additions
and
5 deletions
modules/io/pymod/export_mmcif_io.cc
+
1
−
1
View file @
bca9cd36
...
...
@@ -118,7 +118,7 @@ void export_mmcif_io()
.
def
(
"Write"
,
&
StarWriter
::
Write
,
arg
(
"data_name"
))
;
class_
<
MMCifWriter
,
boost
::
noncopyable
,
bases
<
StarWriter
>
>
(
"MMCifWriter"
,
init
<
const
String
&
,
const
IOProfile
&
>
())
class_
<
MMCifWriter
,
boost
::
noncopyable
,
bases
<
StarWriter
>
>
(
"MMCifWriter"
,
init
<
const
String
&>
())
.
def
(
"SetStructure"
,
&
MMCifWriter
::
SetStructure
,
(
arg
(
"ent"
),
arg
(
"mmcif_conform"
)
=
true
))
;
...
...
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modules/io/src/mol/mmcif_writer.cc
+
1
−
2
View file @
bca9cd36
...
...
@@ -1400,9 +1400,8 @@ int MMCifWriterEntity::GetAsymIdx(const String& asym_id) const {
throw
ost
::
io
::
IOException
(
err
);
}
MMCifWriter
::
MMCifWriter
(
const
String
&
filename
,
const
IOProfile
&
profile
)
:
MMCifWriter
::
MMCifWriter
(
const
String
&
filename
)
:
StarWriter
(
filename
),
profile_
(
profile
),
structure_set_
(
false
)
{
}
void
MMCifWriter
::
SetStructure
(
const
ost
::
mol
::
EntityHandle
&
ent
,
...
...
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modules/io/src/mol/mmcif_writer.hh
+
1
−
2
View file @
bca9cd36
...
...
@@ -69,14 +69,13 @@ struct MMCifWriterEntity {
class
DLLEXPORT_OST_IO
MMCifWriter
:
public
StarWriter
{
public:
MMCifWriter
(
const
String
&
filename
,
const
IOProfile
&
profile
);
MMCifWriter
(
const
String
&
filename
);
virtual
~
MMCifWriter
()
{
}
void
SetStructure
(
const
ost
::
mol
::
EntityHandle
&
ent
,
bool
mmcif_conform
=
true
);
private
:
IOProfile
profile_
;
std
::
vector
<
MMCifWriterEntity
>
entity_info_
;
StarWriterLoopPtr
atom_type_
;
StarWriterLoopPtr
atom_site_
;
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