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open
libcifpp
Commits
598f953c
Commit
598f953c
authored
Nov 03, 2020
by
Maarten L. Hekkelman
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writing sugar trees
parent
c3930428
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5 changed files
with
5 additions
and
53 deletions
+5
-53
.gitignore
+2
-1
GNUmakefile.in
+2
-2
src/PDB2Cif.cpp
+0
-0
src/Structure.cpp
+1
-1
test/pdb2cif-test.cpp
+0
-49
No files found.
.gitignore
View file @
598f953c
...
@@ -15,4 +15,4 @@ config.log
...
@@ -15,4 +15,4 @@ config.log
libtool
libtool
rsrc/lib-version.txt
rsrc/lib-version.txt
version-info*.txt
version-info*.txt
src/revision.hpp
src/revision.hpp
\ No newline at end of file
GNUmakefile.in
View file @
598f953c
...
@@ -196,7 +196,7 @@ $(1)_OBJECTS = $$(OBJDIR)/$(1)-test.o
...
@@ -196,7 +196,7 @@ $(1)_OBJECTS = $$(OBJDIR)/$(1)-test.o
test/$(1)-test
:
$(LIB_TARGET) $$($(1)_OBJECTS)
test/$(1)-test
:
$(LIB_TARGET) $$($(1)_OBJECTS)
@
echo
">>> building
$
(1)-test"
@
echo
">>> building
$
(1)-test"
$(LIBTOOL)
--silent
--tag
=
CXX
--mode
=
link
$(CXX)
$(CXXFLAGS)
$(LDFLAGS)
-o
$$
@
$$
(
$
(
1
)
_OBJECTS
)
-L
.libs
-lcif
++
-lboost_date_time
$(LIBS)
$(LIBTOOL)
--silent
--tag
=
CXX
--mode
=
link
$(CXX)
$(CXXFLAGS)
$(LDFLAGS)
-o
$$
@
$$
(
$
(
1
)
_OBJECTS
)
-L
.libs
-lcif
++
$(LIBS)
.PHONY
:
$(1)-test
.PHONY
:
$(1)-test
$(1)-test
:
test/$(1)-test
$(1)-test
:
test/$(1)-test
...
@@ -204,7 +204,7 @@ $(1)-test: test/$(1)-test
...
@@ -204,7 +204,7 @@ $(1)-test: test/$(1)-test
endef
endef
TESTS
=
unit
pdb2cif
TESTS
=
unit
$(foreach
part,$(TESTS),$(eval
$(call
TEST_template,$(part))))
$(foreach
part,$(TESTS),$(eval
$(call
TEST_template,$(part))))
...
...
src/PDB2Cif.cpp
View file @
598f953c
This diff is collapsed.
Click to expand it.
src/Structure.cpp
View file @
598f953c
...
@@ -1869,7 +1869,7 @@ std::tuple<char,int,char> Structure::MapLabelToAuth(
...
@@ -1869,7 +1869,7 @@ std::tuple<char,int,char> Structure::MapLabelToAuth(
found
=
true
;
found
=
true
;
break
;
break
;
}
}
if
(
not
found
)
if
(
not
found
)
{
{
auto
r
=
db
[
"pdbx_nonpoly_scheme"
].
find
(
cif
::
Key
(
"asym_id"
)
==
asymID
);
auto
r
=
db
[
"pdbx_nonpoly_scheme"
].
find
(
cif
::
Key
(
"asym_id"
)
==
asymID
);
...
...
test/pdb2cif-test.cpp
deleted
100644 → 0
View file @
c3930428
/*-
* SPDX-License-Identifier: BSD-2-Clause
*
* Copyright (c) 2020 NKI/AVL, Netherlands Cancer Institute
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer
* 2. Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*/
#include <stdexcept>
#include "cif++/Cif++.hpp"
#include <cif++/Structure.hpp>
int
main
(
int
argc
,
char
*
const
argv
[])
{
cif
::
rsrc_loader
::
init
({
{
cif
::
rsrc_loader_type
::
file
,
"."
},
{
cif
::
rsrc_loader_type
::
file
,
"rsrc"
},
#if USE_RSRC
{
cif
::
rsrc_loader_type
::
mrsrc
,
""
,
{
gResourceIndex
,
gResourceData
,
gResourceName
}
}
#endif
});
mmcif
::
File
file
(
"pdb2b8h.ent.gz"
);
return
0
;
}
\ No newline at end of file
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