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DENOPTIM
RingClosingConformations.java
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/*
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* DENOPTIM
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* Copyright (C) 2019 Marco Foscato <marco.foscato@uib.no>
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*
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* This program is free software: you can redistribute it and/or modify
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* it under the terms of the GNU Affero General Public License as published
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* by the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* This program is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU Affero General Public License for more details.
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*
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* You should have received a copy of the GNU Affero General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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package
denoptim.graph.rings;
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import
java.io.Serializable;
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import
java.util.ArrayList;
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public
class
RingClosingConformations
implements
Serializable
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{
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private
static
final
long
serialVersionUID
= 1L;
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private
String
chainID
;
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private
ArrayList<ArrayList<Double>>
lstConfs
;
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//-----------------------------------------------------------------------------
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public
RingClosingConformations
()
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{
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this.chainID =
""
;
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this.lstConfs =
new
ArrayList<ArrayList<Double>>();
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}
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//-----------------------------------------------------------------------------
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public
RingClosingConformations
(String
chainID
,
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ArrayList<ArrayList<Double>>
lstConfs
)
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{
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this.chainID =
chainID
;
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this.lstConfs =
lstConfs
;
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}
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//-----------------------------------------------------------------------------
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public
String
getChainID
()
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{
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return
chainID
;
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}
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//-----------------------------------------------------------------------------
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public
int
getNumberOfConformations
()
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{
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return
lstConfs
.size();
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}
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//-----------------------------------------------------------------------------
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public
ArrayList<ArrayList<Double>>
getListOfConformations
()
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{
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return
lstConfs
;
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}
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//-----------------------------------------------------------------------------
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@Override
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public
String
toString
()
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{
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return
"RingClosingConformations [chainID="
+
chainID
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+
", lstConfs="
+
lstConfs
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+
"]"
;
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}
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//-----------------------------------------------------------------------------
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}
denoptim.graph.rings.RingClosingConformations
Serializable object to store/get a list of conformations that allow to close a ring from an open chai...
Definition:
RingClosingConformations.java:42
denoptim.graph.rings.RingClosingConformations.RingClosingConformations
RingClosingConformations()
Constructs an empty RingClosure.
Definition:
RingClosingConformations.java:64
denoptim.graph.rings.RingClosingConformations.toString
String toString()
Definition:
RingClosingConformations.java:109
denoptim.graph.rings.RingClosingConformations.getNumberOfConformations
int getNumberOfConformations()
Definition:
RingClosingConformations.java:94
denoptim.graph.rings.RingClosingConformations.getChainID
String getChainID()
Definition:
RingClosingConformations.java:87
denoptim.graph.rings.RingClosingConformations.getListOfConformations
ArrayList< ArrayList< Double > > getListOfConformations()
Definition:
RingClosingConformations.java:101
denoptim.graph.rings.RingClosingConformations.chainID
String chainID
The identifier of the chain.
Definition:
RingClosingConformations.java:51
denoptim.graph.rings.RingClosingConformations.lstConfs
ArrayList< ArrayList< Double > > lstConfs
List of conformations (each as list of dihedrals)
Definition:
RingClosingConformations.java:56
denoptim.graph.rings.RingClosingConformations.RingClosingConformations
RingClosingConformations(String chainID, ArrayList< ArrayList< Double > > lstConfs)
Constructs a RingClosure from data.
Definition:
RingClosingConformations.java:78
denoptim.graph.rings.RingClosingConformations.serialVersionUID
static final long serialVersionUID
Version ID.
Definition:
RingClosingConformations.java:46
src
main
java
denoptim
graph
rings
RingClosingConformations.java
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