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open
libcifpp
Commits
ae668530
Commit
ae668530
authored
Mar 05, 2024
by
Maarten L. Hekkelman
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parents
4a8b1c05
d7a5e598
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Showing
4 changed files
with
35 additions
and
12 deletions
+35
-12
CMakeLists.txt
+1
-1
changelog
+4
-0
src/pdb/reconstruct.cpp
+1
-1
src/text.cpp
+29
-10
No files found.
CMakeLists.txt
View file @
ae668530
...
...
@@ -27,7 +27,7 @@ cmake_minimum_required(VERSION 3.16)
# set the project name
project
(
libcifpp
VERSION 7.0.
0
VERSION 7.0.
1
LANGUAGES CXX
)
list
(
PREPEND CMAKE_MODULE_PATH
"
${
CMAKE_CURRENT_SOURCE_DIR
}
/cmake"
)
...
...
changelog
View file @
ae668530
Version
7.0.1
-
Various
reconstruction
fixes
-
category
order
in
output
fixed
Version
7.0.0
-
Renaming
many
methods
and
parameters
to
be
more
consistent
with
the
mmCIF
dictionaries
.
...
...
src/pdb/reconstruct.cpp
View file @
ae668530
...
...
@@ -519,7 +519,7 @@ void checkAtomAnisotropRecords(datablock &db)
{
if
(
cif
::
VERBOSE
and
std
::
exchange
(
warnReplaceTypeSymbol
,
false
))
std
::
clog
<<
"Replacing type_symbol in atom_site_anisotrop record(s)
\n
"
;
row
[
"type_symbol"
]
!
=
parent
[
"type_symbol"
].
text
();
row
[
"type_symbol"
]
=
parent
[
"type_symbol"
].
text
();
}
if
(
row
[
"pdbx_auth_alt_id"
].
empty
())
...
...
src/text.cpp
View file @
ae668530
...
...
@@ -190,22 +190,41 @@ std::string trim_left_copy(std::string_view s)
void
trim_left
(
std
::
string
&
s
)
{
auto
b
=
s
.
begin
();
while
(
b
!=
s
.
end
())
{
if
(
not
std
::
isspace
(
*
b
))
break
;
auto
in
=
s
.
begin
(),
out
=
s
.
begin
();
b
=
std
::
next
(
b
);
}
while
(
in
!=
s
.
end
()
and
std
::
isspace
(
*
in
))
++
in
;
s
.
erase
(
s
.
begin
(),
b
);
if
(
in
==
s
.
end
())
s
.
clear
();
else
if
(
in
!=
out
)
{
while
(
in
!=
s
.
end
())
*
out
++
=
*
in
++
;
s
.
erase
(
out
,
s
.
end
());
}
}
void
trim
(
std
::
string
&
s
)
{
trim_right
(
s
);
trim_left
(
s
);
auto
in
=
s
.
begin
(),
out
=
s
.
begin
(),
end
=
s
.
end
();
while
(
end
!=
s
.
begin
()
and
std
::
isspace
(
*
(
end
-
1
)))
--
end
;
while
(
in
!=
end
and
std
::
isspace
(
*
in
))
++
in
;
if
(
in
==
end
)
s
.
clear
();
else
if
(
in
!=
out
)
{
while
(
in
!=
end
)
*
out
++
=
*
in
++
;
s
.
erase
(
out
,
s
.
end
());
}
else
if
(
end
!=
s
.
end
())
s
.
erase
(
end
,
s
.
end
());
}
std
::
string
trim_copy
(
std
::
string_view
s
)
...
...
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