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schwede
openstructure
Commits
882b681e
Commit
882b681e
authored
11 years ago
by
Marco Biasini
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reflow and add DLLEXPORT magic
parent
17b68840
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modules/mol/alg/src/distance_rmsd_test.hh
+8
-5
8 additions, 5 deletions
modules/mol/alg/src/distance_rmsd_test.hh
modules/mol/alg/src/local_dist_diff_test.hh
+4
-5
4 additions, 5 deletions
modules/mol/alg/src/local_dist_diff_test.hh
with
12 additions
and
10 deletions
modules/mol/alg/src/distance_rmsd_test.hh
+
8
−
5
View file @
882b681e
...
@@ -53,10 +53,11 @@ namespace ost { namespace mol { namespace alg {
...
@@ -53,10 +53,11 @@ namespace ost { namespace mol { namespace alg {
/// residue properties. Specifically, the local residue-based Distance RMSD score is stored in a float property
/// residue properties. Specifically, the local residue-based Distance RMSD score is stored in a float property
/// as the provided string, while the residue-based sum of squared distances and the number of distances checked
/// as the provided string, while the residue-based sum of squared distances and the number of distances checked
/// are saved in two properties named <string>_sum (a float property) and <string>_count (an int property).
/// are saved in two properties named <string>_sum (a float property) and <string>_count (an int property).
std
::
pair
<
Real
,
long
int
>
DistanceRMSDTest
(
const
EntityView
&
mdl
,
std
::
pair
<
Real
,
long
int
>
DLLEXPORT_OST_MOL_ALG
const
GlobalRDMap
&
glob_dist_list
,
DistanceRMSDTest
(
const
EntityView
&
mdl
,
Real
cap_distance
,
int
sequence_separation
=
0
,
const
GlobalRDMap
&
glob_dist_list
,
const
String
&
local_drmsdt_property_string
=
""
);
Real
cap_distance
,
int
sequence_separation
=
0
,
const
String
&
local_drmsdt_property_string
=
""
);
/// \brief Computes the Distance RMSD Test given a list of distances to check and a model
/// \brief Computes the Distance RMSD Test given a list of distances to check and a model
...
@@ -67,7 +68,9 @@ std::pair<Real,long int> DistanceRMSDTest(const EntityView& mdl,
...
@@ -67,7 +68,9 @@ std::pair<Real,long int> DistanceRMSDTest(const EntityView& mdl,
///
///
/// A sequence separation parameter can be passed to the function. If this happens, only distances between residues
/// A sequence separation parameter can be passed to the function. If this happens, only distances between residues
/// whose separation is higher than the provided parameter are considered when computing the score.
/// whose separation is higher than the provided parameter are considered when computing the score.
Real
DLLEXPORT_OST_MOL_ALG
DRMSD
(
const
EntityView
&
v
,
const
GlobalRDMap
&
global_dist_list
,
Real
cap_distance
,
int
sequence_separation
=
0
);
Real
DLLEXPORT_OST_MOL_ALG
DRMSD
(
const
EntityView
&
v
,
const
GlobalRDMap
&
global_dist_list
,
Real
cap_distance
,
int
sequence_separation
=
0
);
}}}
}}}
...
...
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modules/mol/alg/src/local_dist_diff_test.hh
+
4
−
5
View file @
882b681e
...
@@ -46,11 +46,10 @@ namespace ost { namespace mol { namespace alg {
...
@@ -46,11 +46,10 @@ namespace ost { namespace mol { namespace alg {
/// residue properties. Specifically, the local residue-based lddt score is stored in a float property named
/// residue properties. Specifically, the local residue-based lddt score is stored in a float property named
/// as the provided string, while the residue-based number of conserved and total distances are saved in two
/// as the provided string, while the residue-based number of conserved and total distances are saved in two
/// int properties named <string>_conserved and <string>_total.
/// int properties named <string>_conserved and <string>_total.
std
::
pair
<
long
int
,
long
int
>
DLLEXPORT_OST_MOL_ALG
LocalDistDiffTest
(
const
EntityView
&
mdl
,
std
::
pair
<
long
int
,
long
int
>
DLLEXPORT_OST_MOL_ALG
const
GlobalRDMap
&
dist_list
,
LocalDistDiffTest
(
const
EntityView
&
mdl
,
const
GlobalRDMap
&
dist_list
,
std
::
vector
<
Real
>
cutoff_list
,
std
::
vector
<
Real
>
cutoff_list
,
int
sequence_separation
=
0
,
int
sequence_separation
=
0
,
const
String
&
local_ldt_property_string
=
""
);
const
String
&
local_ldt_property_string
=
""
);
/// \brief Calculates the Local Distance Difference Score for a given model with respect to a given target
/// \brief Calculates the Local Distance Difference Score for a given model with respect to a given target
///
///
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