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libcifpp
Commits
1f22326d
Commit
1f22326d
authored
Sep 28, 2020
by
Maarten L. Hekkelman
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global replace is evil and should be forbidden
parent
b4dfdb55
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Showing
2 changed files
with
12 additions
and
12 deletions
+12
-12
src/Cif2PDB.cpp
+6
-6
src/PDB2Cif.cpp
+6
-6
No files found.
src/Cif2PDB.cpp
View file @
1f22326d
...
...
@@ -2492,19 +2492,19 @@ void WriteRemark350(std::ostream& pdbFile, Datablock& db)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[1][1]"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[1][2]"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[1][3]"
)
<<
SEP
(
" "
,
-
14
,
5
)
<<
Ff
(
r
,
"
std::
vector[1]"
)
<<
SEP
(
" "
,
-
14
,
5
)
<<
Ff
(
r
,
"vector[1]"
)
<<
std
::
endl
<<
RM
(
" BIOMT2 "
,
-
3
)
<<
Fs
(
r
,
"id"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[2][1]"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[2][2]"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[2][3]"
)
<<
SEP
(
" "
,
-
14
,
5
)
<<
Ff
(
r
,
"
std::
vector[2]"
)
<<
SEP
(
" "
,
-
14
,
5
)
<<
Ff
(
r
,
"vector[2]"
)
<<
std
::
endl
<<
RM
(
" BIOMT3 "
,
-
3
)
<<
Fs
(
r
,
"id"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[3][1]"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[3][2]"
)
<<
SEP
(
" "
,
-
9
,
6
)
<<
Ff
(
r
,
"matrix[3][3]"
)
<<
SEP
(
" "
,
-
14
,
5
)
<<
Ff
(
r
,
"
std::
vector[3]"
)
<<
SEP
(
" "
,
-
14
,
5
)
<<
Ff
(
r
,
"vector[3]"
)
<<
std
::
endl
;
}
}
...
...
@@ -3502,9 +3502,9 @@ int WriteCoordinateTransformation(std::ostream& pdbFile, Datablock& db)
{
std
::
string
given
=
r
[
"code"
]
==
"given"
?
"1"
:
""
;
pdbFile
<<
(
kMTRIX
%
1
%
nr
%
r
[
"matrix[1][1]"
].
as
<
float
>
()
%
r
[
"matrix[1][2]"
].
as
<
float
>
()
%
r
[
"matrix[1][3]"
].
as
<
float
>
()
%
r
[
"
std::
vector[1]"
].
as
<
float
>
()
%
given
)
<<
std
::
endl
;
pdbFile
<<
(
kMTRIX
%
2
%
nr
%
r
[
"matrix[2][1]"
].
as
<
float
>
()
%
r
[
"matrix[2][2]"
].
as
<
float
>
()
%
r
[
"matrix[2][3]"
].
as
<
float
>
()
%
r
[
"
std::
vector[2]"
].
as
<
float
>
()
%
given
)
<<
std
::
endl
;
pdbFile
<<
(
kMTRIX
%
3
%
nr
%
r
[
"matrix[3][1]"
].
as
<
float
>
()
%
r
[
"matrix[3][2]"
].
as
<
float
>
()
%
r
[
"matrix[3][3]"
].
as
<
float
>
()
%
r
[
"
std::
vector[3]"
].
as
<
float
>
()
%
given
)
<<
std
::
endl
;
pdbFile
<<
(
kMTRIX
%
1
%
nr
%
r
[
"matrix[1][1]"
].
as
<
float
>
()
%
r
[
"matrix[1][2]"
].
as
<
float
>
()
%
r
[
"matrix[1][3]"
].
as
<
float
>
()
%
r
[
"vector[1]"
].
as
<
float
>
()
%
given
)
<<
std
::
endl
;
pdbFile
<<
(
kMTRIX
%
2
%
nr
%
r
[
"matrix[2][1]"
].
as
<
float
>
()
%
r
[
"matrix[2][2]"
].
as
<
float
>
()
%
r
[
"matrix[2][3]"
].
as
<
float
>
()
%
r
[
"vector[2]"
].
as
<
float
>
()
%
given
)
<<
std
::
endl
;
pdbFile
<<
(
kMTRIX
%
3
%
nr
%
r
[
"matrix[3][1]"
].
as
<
float
>
()
%
r
[
"matrix[3][2]"
].
as
<
float
>
()
%
r
[
"matrix[3][3]"
].
as
<
float
>
()
%
r
[
"vector[3]"
].
as
<
float
>
()
%
given
)
<<
std
::
endl
;
++
nr
;
result
+=
3
;
...
...
src/PDB2Cif.cpp
View file @
1f22326d
...
...
@@ -3077,15 +3077,15 @@ void PDBFileParser::ParseRemark350()
{
"matrix[1][1]"
,
(
fmt
%
mat
[
0
]).
str
()
},
{
"matrix[1][2]"
,
(
fmt
%
mat
[
1
]).
str
()
},
{
"matrix[1][3]"
,
(
fmt
%
mat
[
2
]).
str
()
},
{
"
std::
vector[1]"
,
(
fmt
%
vec
[
0
]).
str
()
},
{
"vector[1]"
,
(
fmt
%
vec
[
0
]).
str
()
},
{
"matrix[2][1]"
,
(
fmt
%
mat
[
3
]).
str
()
},
{
"matrix[2][2]"
,
(
fmt
%
mat
[
4
]).
str
()
},
{
"matrix[2][3]"
,
(
fmt
%
mat
[
5
]).
str
()
},
{
"
std::
vector[2]"
,
(
fmt
%
vec
[
1
]).
str
()
},
{
"vector[2]"
,
(
fmt
%
vec
[
1
]).
str
()
},
{
"matrix[3][1]"
,
(
fmt
%
mat
[
6
]).
str
()
},
{
"matrix[3][2]"
,
(
fmt
%
mat
[
7
]).
str
()
},
{
"matrix[3][3]"
,
(
fmt
%
mat
[
8
]).
str
()
},
{
"
std::
vector[3]"
,
(
fmt
%
vec
[
2
]).
str
()
}
{
"vector[3]"
,
(
fmt
%
vec
[
2
]).
str
()
}
});
mat
.
clear
();
...
...
@@ -5039,9 +5039,9 @@ void PDBFileParser::ParseCoordinateTransformation()
{
"matrix[3][1]"
,
m
[
2
][
0
]
},
{
"matrix[3][2]"
,
m
[
2
][
1
]
},
{
"matrix[3][3]"
,
m
[
2
][
2
]
},
{
"
std::
vector[1]"
,
v
[
0
]
},
{
"
std::
vector[2]"
,
v
[
1
]
},
{
"
std::
vector[3]"
,
v
[
2
]
},
{
"vector[1]"
,
v
[
0
]
},
{
"vector[2]"
,
v
[
1
]
},
{
"vector[3]"
,
v
[
2
]
},
{
"code"
,
igiven
?
"given"
:
""
}
});
}
...
...
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