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Jmol: an open-source Java viewer for chemical structures in 3D
/* $RCSfile$
* $Author$
* $Date$
* $Revision$
*
* Copyright (C) 2011 The Jmol Development Team
*
* Contact: [email protected]
*
* This library is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public
* License as published by the Free Software Foundation; either
* version 2.1 of the License, or (at your option) any later version.
*
* This library is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public
* License along with this library; if not, write to the Free Software
* Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
* 02110-1301, USA.
*/
package org.jmol.constant;
public enum EnumVdw {
JMOL(0, "Jmol",null), //OpenBabel-1.0
BABEL(1, "Babel",null), //OpenBabel-2.2
RASMOL(2, "RasMol",null), //OpenRasmol-2.7.2.1.1
BABEL21(3, "Babel21",null), //OpenBabel-2.1
AUTO_JMOL(0, null,"Jmol"), //JMOL if undecided
AUTO_BABEL(1, null,"Babel"), //BABEL if undecided
AUTO_RASMOL(2, null,"RasMol"), //RASMOL if undecided
AUTO(0, "Auto",null), //
USER(-1, "User",null), //
ADPMAX(-1, null, "adpmax"),
ADPMIN(-1, null, "adpmin"),
HYDRO(-1, null, "hydrophobic"),
IONIC(-1, null, "ionic"),
TEMP(-1, null, "temperature"),
NOJMOL(-1, null,null), //surface will be adding H atoms ??
NADA(-1, null, null); // ABSOLUTE type -- ignore
public int pt;
private String type;
private String type2;
private EnumVdw(int pt, String type, String type2) {
this.pt = pt;
this.type = type;
this.type2 = type2;
}
public String getVdwLabel() {
return (type == null ? type2 : type);
}
public static EnumVdw getVdwType(String label) {
if (label != null)
for (EnumVdw item : values())
if (label.equalsIgnoreCase(item.type))
return item;
return null;
}
public static EnumVdw getVdwType2(String label) {
if (label != null)
for (EnumVdw item : values())
if (label.equalsIgnoreCase(item.type2))
return item;
return null;
}
}