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open
libcifpp
Commits
fd080e77
Unverified
Commit
fd080e77
authored
Jul 05, 2022
by
Maarten L. Hekkelman
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Changes for MacOS/MSVC
parent
9d155412
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2 changed files
with
6 additions
and
6 deletions
+6
-6
src/BondMap.cpp
+2
-2
src/Compound.cpp
+4
-4
No files found.
src/BondMap.cpp
View file @
fd080e77
...
@@ -393,8 +393,8 @@ BondMap::BondMap(const Structure &p)
...
@@ -393,8 +393,8 @@ BondMap::BondMap(const Structure &p)
{
{
std
::
vector
<
Atom
>
rAtoms
;
std
::
vector
<
Atom
>
rAtoms
;
copy_if
(
atoms
.
begin
(),
atoms
.
end
(),
back_inserter
(
rAtoms
),
copy_if
(
atoms
.
begin
(),
atoms
.
end
(),
back_inserter
(
rAtoms
),
[
&
](
const
Atom
&
a
)
[
id
=
asym_id
,
nr
=
pdb_seq_num
](
const
Atom
&
a
)
{
return
a
.
labelAsymID
()
==
asym_id
and
a
.
authSeqID
()
==
pdb_seq_num
;
});
{
return
a
.
labelAsymID
()
==
id
and
a
.
authSeqID
()
==
nr
;
});
for
(
uint32_t
i
=
0
;
i
+
1
<
rAtoms
.
size
();
++
i
)
for
(
uint32_t
i
=
0
;
i
+
1
<
rAtoms
.
size
();
++
i
)
{
{
...
...
src/Compound.cpp
View file @
fd080e77
...
@@ -274,7 +274,7 @@ class CompoundFactoryImpl : public std::enable_shared_from_this<CompoundFactoryI
...
@@ -274,7 +274,7 @@ class CompoundFactoryImpl : public std::enable_shared_from_this<CompoundFactoryI
public
:
public
:
CompoundFactoryImpl
(
std
::
shared_ptr
<
CompoundFactoryImpl
>
next
);
CompoundFactoryImpl
(
std
::
shared_ptr
<
CompoundFactoryImpl
>
next
);
CompoundFactoryImpl
(
const
std
::
filesystem
::
path
&
file
,
std
::
shared_ptr
<
CompoundFactoryImpl
>
next
);
CompoundFactoryImpl
(
const
fs
::
path
&
file
,
std
::
shared_ptr
<
CompoundFactoryImpl
>
next
);
virtual
~
CompoundFactoryImpl
()
virtual
~
CompoundFactoryImpl
()
{
{
...
@@ -368,7 +368,7 @@ CompoundFactoryImpl::CompoundFactoryImpl(std::shared_ptr<CompoundFactoryImpl> ne
...
@@ -368,7 +368,7 @@ CompoundFactoryImpl::CompoundFactoryImpl(std::shared_ptr<CompoundFactoryImpl> ne
mKnownBases
.
insert
(
key
);
mKnownBases
.
insert
(
key
);
}
}
CompoundFactoryImpl
::
CompoundFactoryImpl
(
const
std
::
filesystem
::
path
&
file
,
std
::
shared_ptr
<
CompoundFactoryImpl
>
next
)
CompoundFactoryImpl
::
CompoundFactoryImpl
(
const
fs
::
path
&
file
,
std
::
shared_ptr
<
CompoundFactoryImpl
>
next
)
:
mNext
(
next
)
:
mNext
(
next
)
{
{
cif
::
File
cifFile
(
file
);
cif
::
File
cifFile
(
file
);
...
@@ -684,7 +684,7 @@ void CompoundFactory::clear()
...
@@ -684,7 +684,7 @@ void CompoundFactory::clear()
sInstance
.
reset
();
sInstance
.
reset
();
}
}
void
CompoundFactory
::
setDefaultDictionary
(
const
std
::
filesystem
::
path
&
inDictFile
)
void
CompoundFactory
::
setDefaultDictionary
(
const
fs
::
path
&
inDictFile
)
{
{
if
(
not
fs
::
exists
(
inDictFile
))
if
(
not
fs
::
exists
(
inDictFile
))
throw
std
::
runtime_error
(
"file not found: "
+
inDictFile
.
string
());
throw
std
::
runtime_error
(
"file not found: "
+
inDictFile
.
string
());
...
@@ -701,7 +701,7 @@ void CompoundFactory::setDefaultDictionary(const std::filesystem::path &inDictFi
...
@@ -701,7 +701,7 @@ void CompoundFactory::setDefaultDictionary(const std::filesystem::path &inDictFi
}
}
}
}
void
CompoundFactory
::
pushDictionary
(
const
std
::
filesystem
::
path
&
inDictFile
)
void
CompoundFactory
::
pushDictionary
(
const
fs
::
path
&
inDictFile
)
{
{
if
(
not
fs
::
exists
(
inDictFile
))
if
(
not
fs
::
exists
(
inDictFile
))
throw
std
::
runtime_error
(
"file not found: "
+
inDictFile
.
string
());
throw
std
::
runtime_error
(
"file not found: "
+
inDictFile
.
string
());
...
...
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