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schwede
openstructure
Commits
e56badeb
Commit
e56badeb
authored
12 years ago
by
Marco Biasini
Browse files
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remove unused functions
parent
5d763caf
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2 changed files
modules/conop/src/nonstandard.cc
+0
-44
0 additions, 44 deletions
modules/conop/src/nonstandard.cc
modules/mol/base/pymod/export_entity.cc
+3
-11
3 additions, 11 deletions
modules/mol/base/pymod/export_entity.cc
with
3 additions
and
55 deletions
modules/conop/src/nonstandard.cc
+
0
−
44
View file @
e56badeb
...
@@ -35,50 +35,6 @@ using namespace ost::conop;
...
@@ -35,50 +35,6 @@ using namespace ost::conop;
namespace
ost
{
namespace
conop
{
namespace
ost
{
namespace
conop
{
namespace
{
bool
CheckBackboneAtoms
(
ResidueHandle
res
)
{
String
atom_names
[]
=
{
"N"
,
"CA"
,
"C"
,
"O"
};
std
::
vector
<
String
>
missing
;
for
(
int
i
=
0
;
i
<
4
;
++
i
)
{
if
(
!
res
.
FindAtom
(
atom_names
[
i
]))
{
missing
.
push_back
(
atom_names
[
i
]);
}
}
if
(
!
missing
.
empty
())
{
std
::
stringstream
ss
;
ss
<<
"residue "
<<
res
.
GetQualifiedName
()
<<
" is missing atoms "
;
for
(
std
::
vector
<
String
>::
const_iterator
i
=
missing
.
begin
(),
e
=
missing
.
end
();
i
!=
e
;
++
i
)
{
if
(
i
!=
missing
.
begin
())
{
ss
<<
", "
;
}
ss
<<
*
i
;
}
LOG_WARNING
(
ss
.
str
());
return
false
;
}
return
true
;
}
bool
CheckCalphaAtom
(
ResidueHandle
res
)
{
String
atom_names
[]
=
{
"N"
,
"CA"
,
"C"
,
"O"
};
std
::
vector
<
String
>
missing
;
for
(
int
i
=
0
;
i
<
4
;
++
i
)
{
if
(
!
res
.
FindAtom
(
atom_names
[
i
]))
{
missing
.
push_back
(
atom_names
[
i
]);
}
}
if
(
!
res
.
FindAtom
(
"CA"
))
{
LOG_WARNING
(
"residue "
<<
res
.
GetQualifiedName
()
<<
" is missing CA atom"
);
return
false
;
}
return
true
;
}
}
bool
CopyResidue
(
ResidueHandle
src_res
,
ResidueHandle
dst_res
,
XCSEditor
&
edi
)
bool
CopyResidue
(
ResidueHandle
src_res
,
ResidueHandle
dst_res
,
XCSEditor
&
edi
)
{
{
...
...
This diff is collapsed.
Click to expand it.
modules/mol/base/pymod/export_entity.cc
+
3
−
11
View file @
e56badeb
...
@@ -63,15 +63,10 @@ ICSEditor depr_request_ics_editor(EntityHandle e, EditMode m)
...
@@ -63,15 +63,10 @@ ICSEditor depr_request_ics_editor(EntityHandle e, EditMode m)
return
e
.
EditICS
(
m
);
return
e
.
EditICS
(
m
);
}
}
bool
less_index
(
const
mol
::
AtomHandle
&
a1
,
const
mol
::
AtomHandle
&
a2
)
{
return
a1
.
GetIndex
()
<
a2
.
GetIndex
();
}
#if OST_NUMPY_SUPPORT_ENABLED
PyObject
*
get_pos2
(
EntityHandle
&
entity
,
bool
id_sorted
)
PyObject
*
get_pos2
(
EntityHandle
&
entity
,
bool
id_sorted
)
{
{
#if OST_NUMPY_SUPPORT_ENABLED
npy_intp
dims
[]
=
{
entity
.
GetAtomCount
(),
3
};
npy_intp
dims
[]
=
{
entity
.
GetAtomCount
(),
3
};
PyObject
*
na
=
PyArray_SimpleNew
(
2
,
dims
,
NPY_FLOAT
);
PyObject
*
na
=
PyArray_SimpleNew
(
2
,
dims
,
NPY_FLOAT
);
npy_float
*
nad
=
reinterpret_cast
<
npy_float
*>
(
PyArray_DATA
(
na
));
npy_float
*
nad
=
reinterpret_cast
<
npy_float
*>
(
PyArray_DATA
(
na
));
...
@@ -93,17 +88,13 @@ PyObject* get_pos2(EntityHandle& entity, bool id_sorted)
...
@@ -93,17 +88,13 @@ PyObject* get_pos2(EntityHandle& entity, bool id_sorted)
}
}
}
}
return
na
;
return
na
;
#else
throw
std
::
runtime_error
(
"GetPositions disabled, since numpy support is not compiled in"
);
return
0
;
#endif
}
}
PyObject
*
get_pos1
(
EntityHandle
&
entity
)
PyObject
*
get_pos1
(
EntityHandle
&
entity
)
{
{
return
get_pos2
(
entity
,
true
);
return
get_pos2
(
entity
,
true
);
}
}
#endif
}
// ns
}
// ns
void
export_Entity
()
void
export_Entity
()
...
@@ -208,3 +199,4 @@ void export_Entity()
...
@@ -208,3 +199,4 @@ void export_Entity()
.
def
(
vector_indexing_suite
<
EntityHandleList
>
())
.
def
(
vector_indexing_suite
<
EntityHandleList
>
())
;
;
}
}
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