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open
libcifpp
Commits
6adb5634
Unverified
Commit
6adb5634
authored
Sep 28, 2021
by
Maarten L. Hekkelman
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remove boost::date_time dependency
parent
4524357c
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Showing
5 changed files
with
14 additions
and
18 deletions
+14
-18
CMakeLists.txt
+1
-1
src/BondMap.cpp
+0
-4
src/Cif2PDB.cpp
+7
-7
src/PDB2Cif.cpp
+6
-5
src/PDB2CifRemark3.cpp
+0
-1
No files found.
CMakeLists.txt
View file @
6adb5634
...
@@ -180,7 +180,7 @@ set(Boost_DETAILED_FAILURE_MSG ON)
...
@@ -180,7 +180,7 @@ set(Boost_DETAILED_FAILURE_MSG ON)
if
(
NOT BUILD_SHARED_LIBS
)
if
(
NOT BUILD_SHARED_LIBS
)
set
(
Boost_USE_STATIC_LIBS ON
)
set
(
Boost_USE_STATIC_LIBS ON
)
endif
()
endif
()
find_package
(
Boost 1.70.0 REQUIRED COMPONENTS system iostreams regex
date_time
program_options
)
find_package
(
Boost 1.70.0 REQUIRED COMPONENTS system iostreams regex program_options
)
if
(
NOT MSVC AND Boost_USE_STATIC_LIBS
)
if
(
NOT MSVC AND Boost_USE_STATIC_LIBS
)
find_package
(
ZLIB REQUIRED
)
find_package
(
ZLIB REQUIRED
)
...
...
src/BondMap.cpp
View file @
6adb5634
...
@@ -28,10 +28,6 @@
...
@@ -28,10 +28,6 @@
#include <algorithm>
#include <algorithm>
#include <mutex>
#include <mutex>
#include <boost/iostreams/filtering_stream.hpp>
#include <boost/iostreams/filter/gzip.hpp>
#include <boost/iostreams/copy.hpp>
#include "cif++/Cif++.hpp"
#include "cif++/Cif++.hpp"
#include "cif++/Compound.hpp"
#include "cif++/Compound.hpp"
#include "cif++/CifUtils.hpp"
#include "cif++/CifUtils.hpp"
...
...
src/Cif2PDB.cpp
View file @
6adb5634
...
@@ -27,8 +27,8 @@
...
@@ -27,8 +27,8 @@
#include <map>
#include <map>
#include <set>
#include <set>
#include <regex>
#include <regex>
#include <cmath>
#include <boost/date_time/gregorian/gregorian.hpp>
#include <boost/algorithm/string.hpp>
#include <boost/algorithm/string.hpp>
#include <boost/format.hpp>
#include <boost/format.hpp>
...
@@ -3638,12 +3638,12 @@ std::tuple<int,int> WriteCoordinatesForModel(std::ostream& pdbFile, Datablock& d
...
@@ -3638,12 +3638,12 @@ std::tuple<int,int> WriteCoordinatesForModel(std::ostream& pdbFile, Datablock& d
%
chainID
%
chainID
%
resSeq
%
resSeq
%
iCode
%
iCode
%
lrintf
(
u11
*
10000
)
%
std
::
lrintf
(
u11
*
10000
)
%
lrintf
(
u22
*
10000
)
%
std
::
lrintf
(
u22
*
10000
)
%
lrintf
(
u33
*
10000
)
%
std
::
lrintf
(
u33
*
10000
)
%
lrintf
(
u12
*
10000
)
%
std
::
lrintf
(
u12
*
10000
)
%
lrintf
(
u13
*
10000
)
%
std
::
lrintf
(
u13
*
10000
)
%
lrintf
(
u23
*
10000
)
%
std
::
lrintf
(
u23
*
10000
)
%
element
%
element
%
sCharge
)
<<
std
::
endl
;
%
sCharge
)
<<
std
::
endl
;
}
}
...
...
src/PDB2Cif.cpp
View file @
6adb5634
...
@@ -28,9 +28,9 @@
...
@@ -28,9 +28,9 @@
#include <set>
#include <set>
#include <stack>
#include <stack>
#include <system_error>
#include <system_error>
#include <iomanip>
#include <boost/algorithm/string.hpp>
#include <boost/algorithm/string.hpp>
#include <boost/date_time/gregorian/gregorian.hpp>
#include <boost/format.hpp>
#include <boost/format.hpp>
#include <boost/numeric/ublas/matrix.hpp>
#include <boost/numeric/ublas/matrix.hpp>
...
@@ -896,8 +896,6 @@ class PDBFileParser
...
@@ -896,8 +896,6 @@ class PDBFileParser
{
{
if
(
regex_match
(
s
,
m
,
rx1
))
if
(
regex_match
(
s
,
m
,
rx1
))
{
{
using
namespace
boost
::
gregorian
;
int
day
=
stoi
(
m
[
1
].
str
());
int
day
=
stoi
(
m
[
1
].
str
());
auto
mi
=
kMonths
.
find
(
m
[
2
].
str
());
auto
mi
=
kMonths
.
find
(
m
[
2
].
str
());
if
(
mi
==
kMonths
.
end
())
if
(
mi
==
kMonths
.
end
())
...
@@ -907,9 +905,12 @@ class PDBFileParser
...
@@ -907,9 +905,12 @@ class PDBFileParser
if
(
year
<
1950
)
if
(
year
<
1950
)
year
+=
100
;
year
+=
100
;
date
dateOriginal
(
static_cast
<
uint16_t
>
(
year
),
static_cast
<
uint16_t
>
(
month
),
static_cast
<
uint16_t
>
(
day
));
std
::
stringstream
ss
;
ss
<<
std
::
setw
(
4
)
<<
std
::
setfill
(
'0'
)
<<
year
<<
'-'
<<
std
::
setw
(
2
)
<<
std
::
setfill
(
'0'
)
<<
month
<<
'-'
<<
std
::
setw
(
2
)
<<
std
::
setfill
(
'0'
)
<<
day
;
s
=
to_iso_extended_string
(
dateOriginal
);
s
=
ss
.
str
(
);
}
}
else
if
(
regex_match
(
s
,
m
,
rx2
))
else
if
(
regex_match
(
s
,
m
,
rx2
))
{
{
...
...
src/PDB2CifRemark3.cpp
View file @
6adb5634
...
@@ -29,7 +29,6 @@
...
@@ -29,7 +29,6 @@
#include <map>
#include <map>
#include <set>
#include <set>
#include <boost/date_time/gregorian/gregorian.hpp>
#include <boost/algorithm/string.hpp>
#include <boost/algorithm/string.hpp>
#include <boost/format.hpp>
#include <boost/format.hpp>
...
...
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