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Michal Malý
Molstar
Commits
6b874786
Commit
6b874786
authored
5 years ago
by
Alexander Rose
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only extract CrossLinkRestraints when needed
parent
f9d25604
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1 changed file
src/mol-model/structure/structure/unit/pair-restraints/extract-cross-links.ts
+5
-2
5 additions, 2 deletions
...ure/structure/unit/pair-restraints/extract-cross-links.ts
with
5 additions
and
2 deletions
src/mol-model/structure/structure/unit/pair-restraints/extract-cross-links.ts
+
5
−
2
View file @
6b874786
/**
/**
* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
* Copyright (c) 2018
-2019
mol* contributors, licensed under MIT, See LICENSE file for more info.
*
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
*/
...
@@ -89,6 +89,7 @@ function createCrossLinkRestraint(unitA: Unit, indexA: StructureElement.UnitInde
...
@@ -89,6 +89,7 @@ function createCrossLinkRestraint(unitA: Unit, indexA: StructureElement.UnitInde
function
extractCrossLinkRestraints
(
structure
:
Structure
):
PairRestraints
<
CrossLinkRestraint
>
{
function
extractCrossLinkRestraints
(
structure
:
Structure
):
PairRestraints
<
CrossLinkRestraint
>
{
const
pairs
:
CrossLinkRestraint
[]
=
[]
const
pairs
:
CrossLinkRestraint
[]
=
[]
if
(
!
structure
.
models
.
some
(
m
=>
IHMCrossLinkRestraint
.
fromModel
(
m
)))
return
new
PairRestraints
(
pairs
)
const
n
=
structure
.
units
.
length
const
n
=
structure
.
units
.
length
for
(
let
i
=
0
;
i
<
n
;
++
i
)
{
for
(
let
i
=
0
;
i
<
n
;
++
i
)
{
...
@@ -96,7 +97,9 @@ function extractCrossLinkRestraints(structure: Structure): PairRestraints<CrossL
...
@@ -96,7 +97,9 @@ function extractCrossLinkRestraints(structure: Structure): PairRestraints<CrossL
extractIntra
(
pairs
,
unitA
)
extractIntra
(
pairs
,
unitA
)
for
(
let
j
=
i
+
1
;
j
<
n
;
++
j
)
{
for
(
let
j
=
i
+
1
;
j
<
n
;
++
j
)
{
const
unitB
=
structure
.
units
[
j
]
const
unitB
=
structure
.
units
[
j
]
extractInter
(
pairs
,
unitA
,
unitB
)
if
(
unitA
.
model
===
unitB
.
model
)
{
extractInter
(
pairs
,
unitA
,
unitB
)
}
}
}
}
}
...
...
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