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include
ost
bindings
wrap_tmalign.hh
Go to the documentation of this file.
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//------------------------------------------------------------------------------
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// This file is part of the OpenStructure project <www.openstructure.org>
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//
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// Copyright (C) 2008-2019 by the OpenStructure authors
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//
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// This library is free software; you can redistribute it and/or modify it under
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// the terms of the GNU Lesser General Public License as published by the Free
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// Software Foundation; either version 3.0 of the License, or (at your option)
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// any later version.
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// This library is distributed in the hope that it will be useful, but WITHOUT
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// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
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// details.
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//
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// You should have received a copy of the GNU Lesser General Public License
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// along with this library; if not, write to the Free Software Foundation, Inc.,
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// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
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//------------------------------------------------------------------------------
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#ifndef OST_BINDINGS_TMALIGN_H
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#define OST_BINDINGS_TMALIGN_H
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#include <
ost/geom/mat4.hh
>
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#include <
ost/geom/vec3.hh
>
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#include <
ost/seq/alignment_handle.hh
>
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#include <
ost/mol/chain_view.hh
>
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#include <
ost/mol/chain_handle.hh
>
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namespace
ost {
namespace
bindings {
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struct
TMAlignResult
{
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TMAlignResult
() { }
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TMAlignResult
(
Real
rm,
Real
tm,
int
aln_l,
const
geom::Mat4
& t,
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const
ost::seq::AlignmentHandle
& aln):
rmsd
(rm),
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tm_score
(tm),
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aligned_length
(aln_l),
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transform
(t),
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alignment
(aln) { }
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Real
rmsd
;
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Real
tm_score
;
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int
aligned_length
;
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geom::Mat4
transform
;
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ost::seq::AlignmentHandle
alignment
;
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Real
GetTMScore
() {
return
tm_score
; }
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Real
GetRMSD
() {
return
rmsd
; }
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int
GetAlignedLength
() {
return
aligned_length
; }
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const
geom::Mat4
&
GetTransform
() {
return
transform
; }
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const
ost::seq::AlignmentHandle
&
GetAlignment
() {
return
alignment
; }
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};
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TMAlignResult
WrappedTMAlign
(
const
geom::Vec3List
& pos_one,
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const
geom::Vec3List
& pos_two,
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const
ost::seq::SequenceHandle
& seq1,
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const
ost::seq::SequenceHandle
& seq2,
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bool
fast =
false
);
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TMAlignResult
WrappedTMAlign
(
const
ost::mol::ChainView
& ent1,
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const
ost::mol::ChainView
& ent2,
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bool
fast =
false
);
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}}
//ns
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#endif
ost::bindings::TMAlignResult::TMAlignResult
TMAlignResult(Real rm, Real tm, int aln_l, const geom::Mat4 &t, const ost::seq::AlignmentHandle &aln)
Definition:
wrap_tmalign.hh:34
ost::seq::SequenceHandle
mutable sequence handle.
Definition:
sequence_handle.hh:172
geom::Mat4
Definition:
mat4.hh:39
Real
float Real
Definition:
base.hh:44
ost::bindings::TMAlignResult::GetRMSD
Real GetRMSD()
Definition:
wrap_tmalign.hh:49
mat4.hh
ost::bindings::TMAlignResult
Definition:
wrap_tmalign.hh:30
ost::bindings::TMAlignResult::alignment
ost::seq::AlignmentHandle alignment
Definition:
wrap_tmalign.hh:46
ost::bindings::TMAlignResult::aligned_length
int aligned_length
Definition:
wrap_tmalign.hh:44
ost::bindings::TMAlignResult::transform
geom::Mat4 transform
Definition:
wrap_tmalign.hh:45
ost::bindings::TMAlignResult::rmsd
Real rmsd
Definition:
wrap_tmalign.hh:42
ost::bindings::TMAlignResult::GetTMScore
Real GetTMScore()
Definition:
wrap_tmalign.hh:48
chain_handle.hh
ost::mol::ChainView
definition of ChainView
Definition:
chain_view.hh:37
alignment_handle.hh
ost::bindings::TMAlignResult::TMAlignResult
TMAlignResult()
Definition:
wrap_tmalign.hh:32
ost::bindings::TMAlignResult::GetAlignedLength
int GetAlignedLength()
Definition:
wrap_tmalign.hh:50
ost::bindings::WrappedTMAlign
TMAlignResult WrappedTMAlign(const geom::Vec3List &pos_one, const geom::Vec3List &pos_two, const ost::seq::SequenceHandle &seq1, const ost::seq::SequenceHandle &seq2, bool fast=false)
geom::Vec3List
Definition:
vec3.hh:214
ost::seq::AlignmentHandle
representation of a multiple sequence alignemnt consisting of two or more sequences ...
Definition:
alignment_handle.hh:53
ost::bindings::TMAlignResult::GetAlignment
const ost::seq::AlignmentHandle & GetAlignment()
Definition:
wrap_tmalign.hh:52
chain_view.hh
ost::bindings::TMAlignResult::GetTransform
const geom::Mat4 & GetTransform()
Definition:
wrap_tmalign.hh:51
vec3.hh
ost::bindings::TMAlignResult::tm_score
Real tm_score
Definition:
wrap_tmalign.hh:43
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