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open
libcifpp
Commits
6b2c9dc3
Unverified
Commit
6b2c9dc3
authored
Oct 18, 2021
by
Maarten L. Hekkelman
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order of compound info, load CCD first
parent
c98b8ae5
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6 additions
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5 deletions
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-5
src/Compound.cpp
+6
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src/Compound.cpp
View file @
6b2c9dc3
...
@@ -636,17 +636,18 @@ void CompoundFactory::init(bool useThreadLocalInstanceOnly)
...
@@ -636,17 +636,18 @@ void CompoundFactory::init(bool useThreadLocalInstanceOnly)
CompoundFactory
::
CompoundFactory
()
CompoundFactory
::
CompoundFactory
()
:
mImpl
(
nullptr
)
:
mImpl
(
nullptr
)
{
{
auto
ccd
=
cif
::
loadResource
(
"components.cif"
);
if
(
ccd
)
mImpl
.
reset
(
new
CCDCompoundFactoryImpl
(
mImpl
));
else
if
(
cif
::
VERBOSE
)
std
::
cerr
<<
"CCD components.cif file was not found"
<<
std
::
endl
;
const
char
*
clibd_mon
=
getenv
(
"CLIBD_MON"
);
const
char
*
clibd_mon
=
getenv
(
"CLIBD_MON"
);
if
(
clibd_mon
!=
nullptr
and
fs
::
is_directory
(
clibd_mon
))
if
(
clibd_mon
!=
nullptr
and
fs
::
is_directory
(
clibd_mon
))
mImpl
.
reset
(
new
CCP4CompoundFactoryImpl
(
clibd_mon
));
mImpl
.
reset
(
new
CCP4CompoundFactoryImpl
(
clibd_mon
));
else
if
(
cif
::
VERBOSE
)
else
if
(
cif
::
VERBOSE
)
std
::
cerr
<<
"CCP4 monomers library not found, CLIBD_MON is not defined"
<<
std
::
endl
;
std
::
cerr
<<
"CCP4 monomers library not found, CLIBD_MON is not defined"
<<
std
::
endl
;
auto
ccd
=
cif
::
loadResource
(
"components.cif"
);
if
(
ccd
)
mImpl
.
reset
(
new
CCDCompoundFactoryImpl
(
mImpl
));
else
if
(
cif
::
VERBOSE
)
std
::
cerr
<<
"CCD components.cif file was not found"
<<
std
::
endl
;
}
}
CompoundFactory
::~
CompoundFactory
()
CompoundFactory
::~
CompoundFactory
()
...
...
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