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open
libcifpp
Commits
567b0f3b
Unverified
Commit
567b0f3b
authored
Sep 28, 2021
by
Maarten L. Hekkelman
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Merge branch 'develop' of github.com:PDB-REDO/libcifpp into develop
parents
b5454f09
8f293869
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Showing
6 changed files
with
41 additions
and
46 deletions
+41
-46
CMakeLists.txt
+22
-10
changelog
+5
-2
libcifpp.pc.in
+2
-2
src/Cif++.cpp
+1
-12
src/Structure.cpp
+2
-20
test/unit-test.cpp
+9
-0
No files found.
CMakeLists.txt
View file @
567b0f3b
...
...
@@ -34,10 +34,10 @@ enable_testing()
include
(
GNUInstallDirs
)
include
(
CheckFunctionExists
)
include
(
CheckIncludeFiles
)
include
(
FindFilesystem
)
include
(
CheckLibraryExists
)
include
(
CMakePackageConfigHelpers
)
include
(
Dart
)
include
(
FindFilesystem
)
include
(
GenerateExportHeader
)
set
(
CXX_EXTENSIONS OFF
)
...
...
@@ -171,13 +171,10 @@ set(THREADS_PREFER_PTHREAD_FLAG)
find_package
(
Threads
)
set
(
Boost_DETAILED_FAILURE_MSG ON
)
set
(
Boost_USE_STATIC_LIBS ON
)
#
set(Boost_USE_STATIC_LIBS ON)
find_package
(
Boost 1.70.0 REQUIRED COMPONENTS system iostreams regex date_time program_options
)
find_package
(
ZLIB REQUIRED
)
find_package
(
BZip2 REQUIRED
)
include_directories
(
${
Boost_INCLUDE_DIR
}
)
find_package
(
ZLIB REQUIRED COMPONENTS zlibstatic
)
# Create a revision file, containing the current git version info
...
...
@@ -205,7 +202,10 @@ if(RECREATE_SYMOP_DATA)
add_executable
(
symop-map-generator
"
${
CMAKE_SOURCE_DIR
}
/tools/symop-map-generator.cpp"
)
target_link_libraries
(
symop-map-generator Threads::Threads
${
Boost_LIBRARIES
}
std::filesystem ZLIB::ZLIB BZip2::BZip2
)
target_link_libraries
(
symop-map-generator Threads::Threads
${
Boost_LIBRARIES
}
std::filesystem ZLIB::ZLIB
)
if
(
Boost_INCLUDE_DIR
)
target_include_directories
(
symop-map-generator
${
Boost_INCLUDE_DIR
}
)
endif
()
set
(
$ENV{CLIBD}
${
CLIBD
}
)
...
...
@@ -266,8 +266,12 @@ target_include_directories(cifpp
PUBLIC
"$<BUILD_INTERFACE:
${
PROJECT_SOURCE_DIR
}
/include>"
"$<INSTALL_INTERFACE:
${
CMAKE_INSTALL_INCLUDEDIR
}
>"
${
Boost_INCLUDE_DIR
}
${
ZLIB_INCLUDE_DIR
}
)
target_link_libraries
(
cifpp Threads::Threads
${
Boost_LIBRARIES
}
std::filesystem ZLIB::ZLIB
)
if
(
CMAKE_CXX_COMPILER_ID STREQUAL
"AppleClang"
)
target_link_options
(
cifpp PRIVATE -undefined dynamic_lookup
)
endif
(
CMAKE_CXX_COMPILER_ID STREQUAL
"AppleClang"
)
...
...
@@ -305,8 +309,6 @@ endif()
add_custom_target
(
COMPONENTS ALL DEPENDS
${
COMPONENTS_CIF
}
)
include_directories
(
${
Boost_INCLUDE_DIRS
}
)
set
(
INCLUDE_INSTALL_DIR
${
CMAKE_INSTALL_INCLUDEDIR
}
)
set
(
LIBRARY_INSTALL_DIR
${
CMAKE_INSTALL_LIBDIR
}
)
set
(
SHARE_INSTALL_DIR
${
CMAKE_INSTALL_DATADIR
}
/libcifpp
)
...
...
@@ -389,6 +391,16 @@ set(exec_prefix ${CMAKE_INSTALL_PREFIX})
set
(
libdir
${
CMAKE_INSTALL_PREFIX
}
/
${
CMAKE_INSTALL_LIBDIR
}
)
set
(
includedir
${
CMAKE_INSTALL_PREFIX
}
/
${
CMAKE_INSTALL_INCLUDEDIR
}
)
get_target_property
(
PRIVATE_LIBRARIES cifpp INTERFACE_LINK_LIBRARIES
)
foreach
(
LIB
${
PRIVATE_LIBRARIES
}
)
set
(
PRIVATE_LIBS
"
${
PRIVATE_LIBS
}
-l
${
LIB
}
"
)
endforeach
()
get_target_property
(
PRIVATE_INCLUDE_DIRS cifpp INTERFACE_INCLUDE_DIRECTORIES
)
foreach
(
INC
${
PRIVATE_INCLUDE_DIRS
}
)
set
(
PRIVATE_INC_DIRS
"
${
PRIVATE_INC_DIRS
}
-I
${
INC
}
"
)
endforeach
()
configure_file
(
${
CMAKE_CURRENT_SOURCE_DIR
}
/libcifpp.pc.in
${
CMAKE_CURRENT_BINARY_DIR
}
/libcifpp.pc.in @ONLY
)
file
(
GENERATE OUTPUT
${
CMAKE_CURRENT_BINARY_DIR
}
/libcifpp.pc
...
...
@@ -425,7 +437,7 @@ if(CIFPP_BUILD_TESTS)
${
CMAKE_CURRENT_BINARY_DIR
}
# for config.h
)
target_link_libraries
(
${
CIFPP_TEST
}
PRIVATE Threads::Threads cifpp
${
Boost_LIBRARIES
}
std::filesystem ZLIB::ZLIB
BZip2::BZip2
)
target_link_libraries
(
${
CIFPP_TEST
}
PRIVATE Threads::Threads cifpp
${
Boost_LIBRARIES
}
std::filesystem ZLIB::ZLIB
)
if
(
MSVC
)
# Specify unwind semantics so that MSVC knowns how to handle exceptions
...
...
changelog
View file @
567b0f3b
Version 2.0.0
- New API interface for accessing query results
- Removed bzip2 support
Version 1.1.1
- Now with full support for MS Windows
...
...
@@ -10,4 +14,4 @@ Version 1.0.1
then /var/cache and finally compiled in resources (with mrc).
Version 1.0.0
- First public release
\ No newline at end of file
- First public release
libcifpp.pc.in
View file @
567b0f3b
...
...
@@ -8,5 +8,5 @@ Name: libcifpp
Description:
C++
library
for
the
manipulation
of
mmCIF
files
.
Version:
@PACKAGE_VERSION@
Libs:
-L$
{
libdir
}
-lcifpp
Cflags:
-I$
{
includedir
}
Libs:
-L$
{
libdir
}
-lcifpp
@PRIVATE_LIBS@
Cflags:
-I$
{
includedir
}
@PRIVATE_INC_DIRS@
src/Cif++.cpp
View file @
567b0f3b
...
...
@@ -37,7 +37,6 @@
#include <filesystem>
#include <boost/algorithm/string.hpp>
#include <boost/iostreams/filter/bzip2.hpp>
#include <boost/iostreams/filter/gzip.hpp>
#include <boost/iostreams/filtering_stream.hpp>
#include <boost/logic/tribool.hpp>
...
...
@@ -3464,12 +3463,7 @@ void File::load(const std::string &p)
io
::
filtering_stream
<
io
::
input
>
in
;
std
::
string
ext
;
if
(
path
.
extension
()
==
".bz2"
)
{
in
.
push
(
io
::
bzip2_decompressor
());
ext
=
path
.
stem
().
extension
().
string
();
}
else
if
(
path
.
extension
()
==
".gz"
)
if
(
path
.
extension
()
==
".gz"
)
{
in
.
push
(
io
::
gzip_decompressor
());
ext
=
path
.
stem
().
extension
().
string
();
...
...
@@ -3500,11 +3494,6 @@ void File::save(const std::string &p)
out
.
push
(
io
::
gzip_compressor
());
path
=
path
.
stem
();
}
else
if
(
path
.
extension
()
==
".bz2"
)
{
out
.
push
(
io
::
bzip2_compressor
());
path
=
path
.
stem
();
}
out
.
push
(
outFile
);
save
(
out
);
...
...
src/Structure.cpp
View file @
567b0f3b
...
...
@@ -32,7 +32,6 @@
#include <boost/algorithm/string.hpp>
#include <boost/format.hpp>
#include <boost/iostreams/filter/bzip2.hpp>
#include <boost/iostreams/filter/gzip.hpp>
#include <boost/iostreams/filtering_stream.hpp>
...
...
@@ -67,7 +66,6 @@ struct FileImpl
void
FileImpl
::
load_data
(
const
char
*
data
,
size_t
length
)
{
bool
gzipped
=
length
>
2
and
data
[
0
]
==
static_cast
<
char
>
(
0x1f
)
and
data
[
1
]
==
static_cast
<
char
>
(
0x8b
);
bool
bzip2ed
=
length
>
3
and
data
[
0
]
==
static_cast
<
char
>
(
0x42
)
and
data
[
1
]
==
static_cast
<
char
>
(
0x5A
)
and
data
[
2
]
==
static_cast
<
char
>
(
0x68
);
try
{
...
...
@@ -82,8 +80,6 @@ void FileImpl::load_data(const char *data, size_t length)
io
::
filtering_stream
<
io
::
input
>
in
;
if
(
gzipped
)
in
.
push
(
io
::
gzip_decompressor
());
else
if
(
bzip2ed
)
in
.
push
(
io
::
bzip2_decompressor
());
in
.
push
(
is
);
mData
.
load
(
in
);
...
...
@@ -101,8 +97,6 @@ void FileImpl::load_data(const char *data, size_t length)
io
::
filtering_stream
<
io
::
input
>
in
;
if
(
gzipped
)
in
.
push
(
io
::
gzip_decompressor
());
else
if
(
bzip2ed
)
in
.
push
(
io
::
bzip2_decompressor
());
in
.
push
(
is
);
ReadPDBFile
(
in
,
mData
);
...
...
@@ -129,12 +123,7 @@ void FileImpl::load(const std::string &p)
io
::
filtering_stream
<
io
::
input
>
in
;
std
::
string
ext
=
path
.
extension
().
string
();
if
(
path
.
extension
()
==
".bz2"
)
{
in
.
push
(
io
::
bzip2_decompressor
());
ext
=
path
.
stem
().
extension
().
string
();
}
else
if
(
path
.
extension
()
==
".gz"
)
if
(
path
.
extension
()
==
".gz"
)
{
in
.
push
(
io
::
gzip_decompressor
());
ext
=
path
.
stem
().
extension
().
string
();
...
...
@@ -171,9 +160,7 @@ void FileImpl::load(const std::string &p)
else
inFile
.
open
(
path
,
std
::
ios_base
::
in
|
std
::
ios
::
binary
);
if
(
path
.
extension
()
==
".bz2"
)
in
.
push
(
io
::
bzip2_decompressor
());
else
if
(
path
.
extension
()
==
".gz"
)
if
(
path
.
extension
()
==
".gz"
)
in
.
push
(
io
::
gzip_decompressor
());
in
.
push
(
inFile
);
...
...
@@ -210,11 +197,6 @@ void FileImpl::save(const std::string &p)
out
.
push
(
io
::
gzip_compressor
());
path
=
path
.
stem
();
}
else
if
(
path
.
extension
()
==
".bz2"
)
{
out
.
push
(
io
::
bzip2_compressor
());
path
=
path
.
stem
();
}
out
.
push
(
outFile
);
...
...
test/unit-test.cpp
View file @
567b0f3b
...
...
@@ -1665,3 +1665,11 @@ BOOST_AUTO_TEST_CASE(bondmap_2)
BOOST_CHECK
(
mmcif
::
BondMap
::
atomIDsForCompound
(
"UN_"
).
empty
()
==
false
);
}
BOOST_AUTO_TEST_CASE
(
reading_file_1
)
{
std
::
istringstream
is
(
"Hello, world!"
);
cif
::
File
file
;
BOOST_CHECK_THROW
(
file
.
load
(
is
),
std
::
runtime_error
);
}
\ No newline at end of file
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