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schwede
ProMod3
Commits
55d6f231
Commit
55d6f231
authored
9 years ago
by
Gerardo Tauriello
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SCHWED-782
: quick update, added promod3 namespace for global func. in config.hh
parent
e6eb3534
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Changes
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2 changed files
config/src/config.hh.in
+4
-0
4 additions, 0 deletions
config/src/config.hh.in
extras/data_generation/portable_binaries/convert_data.cc
+12
-12
12 additions, 12 deletions
extras/data_generation/portable_binaries/convert_data.cc
with
16 additions
and
12 deletions
config/src/config.hh.in
+
4
−
0
View file @
55d6f231
...
...
@@ -16,6 +16,8 @@
#define PROMOD3_VERSION_MINOR @PROMOD3_VERSION_MINOR@
#define PROMOD3_VERSION_STRING "@PROMOD3_VERSION_STRING@"
namespace promod3 {
/// \brief Get path to the shared data folder. Used for binaries.
/// This is taken from the env. variable PROMOD3_SHARED_DATA_PATH.
/// If the emv. var. is not set, it uses the compile-time location as fallback.
...
...
@@ -44,4 +46,6 @@ String GetProMod3BinaryPath(const String& subpath, const String& filename) {
}
}
} //ns
#endif
This diff is collapsed.
Click to expand it.
extras/data_generation/portable_binaries/convert_data.cc
+
12
−
12
View file @
55d6f231
...
...
@@ -51,7 +51,7 @@ void check_binary_equal(STREAM& in_stream, STREAM& in_stream_ref) {
void
convert_torsion_sampler
(
String
file_name
)
{
// convert it
uint
seed
=
0
;
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
promod3
::
loop
::
TorsionSamplerPtr
p
=
promod3
::
loop
::
TorsionSampler
::
Load
(
path_ref
,
seed
);
String
path_new
=
file_name
;
p
->
Save
(
path_new
);
...
...
@@ -73,7 +73,7 @@ void convert_torsion_sampler(String file_name) {
void
convert_frag_db
(
String
file_name
)
{
// convert it
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
promod3
::
loop
::
FragDBPtr
p
=
promod3
::
loop
::
FragDB
::
Load
(
path_ref
);
String
path_new
=
file_name
;
p
->
Save
(
path_new
);
...
...
@@ -144,13 +144,13 @@ void convert_structure_db(String path_ref, String path_new) {
}
void
convert_structure_db
(
String
file_name
)
{
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_new
=
file_name
;
convert_structure_db
(
path_ref
,
path_new
);
}
void
convert_bb_loop_scorer
(
String
file_name
)
{
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_new
=
file_name
;
// convert it
promod3
::
loop
::
BackboneLoopScorerPtr
p
=
promod3
::
loop
::
BackboneLoopScorer
::
Load
(
path_ref
);
...
...
@@ -172,7 +172,7 @@ void convert_bb_loop_scorer(String file_name) {
}
void
convert_BBDepRotamerLib
(
String
file_name
)
{
String
path_ref
=
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
String
path_new
=
file_name
;
// convert it
promod3
::
sidechain
::
BBDepRotamerLibPtr
p
=
promod3
::
sidechain
::
BBDepRotamerLib
::
Load
(
path_ref
);
...
...
@@ -202,7 +202,7 @@ void convert_BBDepRotamerLib(String file_name) {
}
void
convert_RotamerLib
(
String
file_name
)
{
String
path_ref
=
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
String
path_new
=
file_name
;
// convert it
promod3
::
sidechain
::
RotamerLibPtr
p
=
promod3
::
sidechain
::
RotamerLib
::
Load
(
path_ref
);
...
...
@@ -232,7 +232,7 @@ void convert_RotamerLib(String file_name) {
void
portable_torsion_sampler
(
String
file_name
,
String
file_name_portable
)
{
// convert it
uint
seed
=
0
;
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
promod3
::
loop
::
TorsionSamplerPtr
p
=
promod3
::
loop
::
TorsionSampler
::
Load
(
path_ref
,
seed
);
String
path_portable
=
file_name_portable
;
p
->
SavePortable
(
path_portable
);
...
...
@@ -256,7 +256,7 @@ void portable_torsion_sampler(String file_name, String file_name_portable) {
void
portable_frag_db
(
String
file_name
,
String
file_name_portable
)
{
// convert it
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_portable
=
file_name_portable
;
String
path_new
=
file_name
;
promod3
::
loop
::
FragDBPtr
p
;
...
...
@@ -356,13 +356,13 @@ void portable_structure_db(String path_ref, String path_new,
}
void
portable_structure_db
(
String
file_name
,
String
file_name_portable
)
{
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
portable_structure_db
(
path_ref
,
file_name
,
file_name_portable
);
}
void
portable_bb_loop_scorer
(
String
file_name
,
String
file_name_portable
)
{
// convert it
String
path_ref
=
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"loop_data"
,
file_name
);
promod3
::
loop
::
BackboneLoopScorerPtr
p
=
promod3
::
loop
::
BackboneLoopScorer
::
Load
(
path_ref
);
String
path_portable
=
file_name_portable
;
p
->
SavePortable
(
path_portable
);
...
...
@@ -378,7 +378,7 @@ void portable_bb_loop_scorer(String file_name, String file_name_portable) {
void
portable_BBDepRotamerLib
(
String
file_name
,
String
file_name_portable
)
{
// convert it
String
path_ref
=
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
promod3
::
sidechain
::
BBDepRotamerLibPtr
p
=
promod3
::
sidechain
::
BBDepRotamerLib
::
Load
(
path_ref
);
String
path_portable
=
file_name_portable
;
p
->
SavePortable
(
path_portable
);
...
...
@@ -394,7 +394,7 @@ void portable_BBDepRotamerLib(String file_name, String file_name_portable) {
void
portable_RotamerLib
(
String
file_name
,
String
file_name_portable
)
{
// convert it
String
path_ref
=
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
String
path_ref
=
promod3
::
GetProMod3BinaryPath
(
"sidechain_data"
,
file_name
);
promod3
::
sidechain
::
RotamerLibPtr
p
=
promod3
::
sidechain
::
RotamerLib
::
Load
(
path_ref
);
String
path_portable
=
file_name_portable
;
p
->
SavePortable
(
path_portable
);
...
...
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