org.xmlcml.cml.tools.AtomMatchObject Maven / Gradle / Ivy
/**
* Copyright 2011 Peter Murray-Rust et. al.
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*/
package org.xmlcml.cml.tools;
import org.xmlcml.cml.tools.AtomMatcher.Strategy;
/**
* a DTO for matching atome
* @author pm286
*
*/
public class AtomMatchObject {
private String[] excludeElementTypes;
private String[] includeElementTypes;
private String[] excludeLigandElementTypes;
private String[] includeLigandElementTypes;
private boolean useCharge;
private boolean useLabel;
private boolean useImplicitHydrogens = false;
private int atomTreeLevel = -1;
private int maximumAtomTreeLevel;
private Strategy atomMatchStrategy;
private Strategy atomSetExpansionStrategy;
private boolean explicitHydrogens;
private boolean useExplicitHydrogens;
public boolean isUseImplicitHydrogens() {
return useImplicitHydrogens;
}
public void setUseImplicitHydrogens(boolean useImplicitHydrogens) {
this.useImplicitHydrogens = useImplicitHydrogens;
}
public int getAtomTreeLevel() {
return atomTreeLevel;
}
public void setAtomTreeLevel(int atomTreeLevel) {
this.atomTreeLevel = atomTreeLevel;
}
public Strategy getAtomMatchStrategy() {
return atomMatchStrategy;
}
public void setAtomMatchStrategy(Strategy atomMatchStrategy) {
this.atomMatchStrategy = atomMatchStrategy;
}
public Strategy getAtomSetExpansionStrategy() {
return atomSetExpansionStrategy;
}
public void setAtomSetExpansionStrategy(Strategy atomSetExpansionStrategy) {
this.atomSetExpansionStrategy = atomSetExpansionStrategy;
}
public int getMaximumAtomTreeLevel() {
return maximumAtomTreeLevel;
}
void setMaximumAtomTreeLevel(int maximumAtomTreeLevel) {
this.maximumAtomTreeLevel = maximumAtomTreeLevel;
}
public String[] getExcludeElementTypes() {
return excludeElementTypes;
}
public void setExcludeElementTypes(String[] excludeElementTypes) {
this.excludeElementTypes = excludeElementTypes;
}
public String[] getIncludeElementTypes() {
return includeElementTypes;
}
public void setIncludeElementTypes(String[] includeElementTypes) {
this.includeElementTypes = includeElementTypes;
}
public String[] getExcludeLigandElementTypes() {
return excludeLigandElementTypes;
}
public void setExcludeLigandElementTypes(String[] excludeLigandElementTypes) {
this.excludeLigandElementTypes = excludeLigandElementTypes;
}
public String[] getIncludeLigandElementTypes() {
return includeLigandElementTypes;
}
public void setIncludeLigandElementTypes(String[] includeLigandElementTypes) {
this.includeLigandElementTypes = includeLigandElementTypes;
}
public boolean isUseCharge() {
return useCharge;
}
public void setUseCharge(boolean useCharge) {
this.useCharge = useCharge;
}
public boolean isUseLabel() {
return useLabel;
}
public void setUseLabel(boolean useLabel) {
this.useLabel = useLabel;
}
public AtomMatchObject() {
/*
private String[] excludeElementTypes;
private String[] includeElementTypes;
private String[] excludeLigandElementTypes;
private String[] includeLigandElementTypes;
private boolean useCharge;
private boolean useLabel;
private boolean useImplicitHydrogens = false;
private int atomTreeLevel = -1;
private int maximumAtomTreeLevel;
private Strategy atomMatchStrategy;
private Strategy atomSetExpansionStrategy;
private boolean useExplicitHydrogens;
*/
excludeElementTypes = new String[] {};
includeElementTypes = new String[] {};
excludeLigandElementTypes = new String[] {};
includeLigandElementTypes = new String[] {};
useCharge = false;
useLabel = false;
useImplicitHydrogens = false;
useExplicitHydrogens = true;
atomTreeLevel = -1;
maximumAtomTreeLevel = 3;
atomMatchStrategy = null;
atomSetExpansionStrategy = null;
}
public AtomMatchObject(AtomMatchObject atomMatchObject) {
this.excludeElementTypes = atomMatchObject.excludeElementTypes;
this.includeElementTypes = atomMatchObject.includeElementTypes;
this.excludeLigandElementTypes = atomMatchObject.excludeLigandElementTypes;
this.includeLigandElementTypes = atomMatchObject.includeLigandElementTypes;
this.useCharge = atomMatchObject.useCharge;
this.useLabel = atomMatchObject.useLabel;
this.useImplicitHydrogens = atomMatchObject.useImplicitHydrogens;
this.useExplicitHydrogens = atomMatchObject.useExplicitHydrogens;
this.atomTreeLevel = atomMatchObject.atomTreeLevel;
this.maximumAtomTreeLevel = atomMatchObject.maximumAtomTreeLevel;
this.atomMatchStrategy = atomMatchObject.atomMatchStrategy;
this.atomSetExpansionStrategy = atomMatchObject.atomSetExpansionStrategy;
}
public void setExplicitHydrogens(boolean explicitHydrogens) {
this.explicitHydrogens = explicitHydrogens;
}
public boolean isExplicitHydrogens() {
return explicitHydrogens;
}
public void setUseExplicitHydrogens(boolean useExplicitHydrogens) {
this.useExplicitHydrogens = useExplicitHydrogens;
}
public boolean isUseExplicitHydrogens() {
return useExplicitHydrogens;
}
}
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