/* $RCSfile$ * $Author$ * $Date$ * $Revision$ * * Copyright (C) 2011 The Jmol Development Team * * Contact: jmol-developers@lists.sf.net * * 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.c; /** * Enum for animation mode. */ public enum PAL { UNKNOWN(null, (byte) 0xFF), NONE("none",PAL.PALETTE_NONE), CPK("cpk",PAL.PALETTE_CPK), PARTIAL_CHARGE("partialcharge",PAL.PALETTE_PARTIAL_CHARGE), FORMAL_CHARGE("formalcharge",PAL.PALETTE_FORMAL_CHARGE), TEMP("temperature",PAL.PALETTE_TEMP), FIXEDTEMP("fixedtemperature",PAL.PALETTE_FIXEDTEMP), SURFACE("surfacedistance",PAL.PALETTE_SURFACE), STRUCTURE("structure",PAL.PALETTE_STRUCTURE), AMINO("amino",PAL.PALETTE_AMINO), SHAPELY("shapely",PAL.PALETTE_SHAPELY), CHAIN("chain",PAL.PALETTE_CHAIN), GROUP("group",PAL.PALETTE_GROUP), MONOMER("monomer",PAL.PALETTE_MONOMER), MOLECULE("molecule",PAL.PALETTE_MOLECULE), ALTLOC("altloc",PAL.PALETTE_ALTLOC), INSERTION("insertion",PAL.PALETTE_INSERTION), JMOL("jmol",PAL.PALETTE_JMOL), RASMOL("rasmol",PAL.PALETTE_RASMOL), TYPE("type",PAL.PALETTE_TYPE), ENERGY("energy",PAL.PALETTE_ENERGY), PROPERTY("property",PAL.PALETTE_PROPERTY), VARIABLE("variable",PAL.PALETTE_VARIABLE), STRAIGHTNESS("straightness",PAL.PALETTE_STRAIGHTNESS), POLYMER("polymer",PAL.PALETTE_POLYMER), NUCLEIC("nucleic",PAL.PALETTE_NUCLEIC); private String name; public byte id; public final static byte PALETTE_VOLATILE = 0x40; public final static byte PALETTE_NONE = 0; public final static byte PALETTE_CPK = 1; public final static byte PALETTE_PARTIAL_CHARGE = 2; public final static byte PALETTE_FORMAL_CHARGE = 3; public final static byte PALETTE_TEMP = 4 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_FIXEDTEMP = 5; public final static byte PALETTE_SURFACE = 6 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_STRUCTURE = 7; public final static byte PALETTE_AMINO = 8; public final static byte PALETTE_SHAPELY = 9; public final static byte PALETTE_CHAIN = 10; public final static byte PALETTE_GROUP = 11 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_MONOMER = 12 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_MOLECULE = 13 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_ALTLOC = 14; public final static byte PALETTE_INSERTION = 15; public final static byte PALETTE_JMOL = 16; public final static byte PALETTE_RASMOL = 17; public final static byte PALETTE_TYPE = 18; public final static byte PALETTE_ENERGY = 19; public final static byte PALETTE_PROPERTY = 20 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_VARIABLE = 21 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_STRAIGHTNESS = 22 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_POLYMER = 23 | PAL.PALETTE_VOLATILE; public final static byte PALETTE_NUCLEIC = 24; /** * @j2sIgnoreSuperConstructor * * @param name * @param id */ private PAL(String name, int id) { this.name = name; this.id = (byte) id; } public static byte pidOf(Object value) { return (value instanceof PAL ? ((PAL) value).id : value instanceof Byte ? ((Byte) value).byteValue() : UNKNOWN.id); } public static boolean isPaletteVariable(byte pid) { return ((pid & PAL.PALETTE_VOLATILE) != 0); } public static PAL getPalette(String paletteName) { if (paletteName.indexOf('_') < 0) for (PAL item : values()) if (paletteName.equalsIgnoreCase(item.name)) return item; return (paletteName.indexOf("property_") == 0 ? PROPERTY : UNKNOWN); } public final static byte getPaletteID(String paletteName) { if (paletteName.indexOf('_') < 0) for (PAL item : values()) if (paletteName.equalsIgnoreCase(item.name)) return item.id; return (paletteName.indexOf("property_") == 0 ? PROPERTY.id : UNKNOWN.id); } public final static String getPaletteName(byte pid) { for (PAL item : values()) if (item.id == pid) return item.name; return null; } public final static int[] argbsCpkRasmol = { 0x00FF1493 + (0 << 24), // Xx 0 0x00FFFFFF + (1 << 24), // H 1 0x00FFC0CB + (2 << 24), // He 2 0x00B22222 + (3 << 24), // Li 3 0x0000FF00 + (5 << 24), // B 5 0x00C8C8C8 + (6 << 24), // C 6 0x008F8FFF + (7 << 24), // N 7 0x00F00000 + (8 << 24), // O 8 0x00DAA520 + (9 << 24), // F 9 0x000000FF + (11 << 24), // Na 11 0x00228B22 + (12 << 24), // Mg 12 0x00808090 + (13 << 24), // Al 13 0x00DAA520 + (14 << 24), // Si 14 0x00FFA500 + (15 << 24), // P 15 0x00FFC832 + (16 << 24), // S 16 0x0000FF00 + (17 << 24), // Cl 17 0x00808090 + (20 << 24), // Ca 20 0x00808090 + (22 << 24), // Ti 22 0x00808090 + (24 << 24), // Cr 24 0x00808090 + (25 << 24), // Mn 25 0x00FFA500 + (26 << 24), // Fe 26 0x00A52A2A + (28 << 24), // Ni 28 0x00A52A2A + (29 << 24), // Cu 29 0x00A52A2A + (30 << 24), // Zn 30 0x00A52A2A + (35 << 24), // Br 35 0x00808090 + (47 << 24), // Ag 47 0x00A020F0 + (53 << 24), // I 53 0x00FFA500 + (56 << 24), // Ba 56 0x00DAA520 + (79 << 24), // Au 79 }; /** * Default table of CPK atom colors. ghemical colors with a few * modifications */ public final static int[] argbsCpk = { 0xFFFF1493, // Xx 0 0xFFFFFFFF, // H 1 0xFFD9FFFF, // He 2 0xFFCC80FF, // Li 3 0xFFC2FF00, // Be 4 0xFFFFB5B5, // B 5 0xFF909090, // C 6 - changed from ghemical 0xFF3050F8, // N 7 - changed from ghemical 0xFFFF0D0D, // O 8 0xFF90E050, // F 9 - changed from ghemical 0xFFB3E3F5, // Ne 10 0xFFAB5CF2, // Na 11 0xFF8AFF00, // Mg 12 0xFFBFA6A6, // Al 13 0xFFF0C8A0, // Si 14 - changed from ghemical 0xFFFF8000, // P 15 0xFFFFFF30, // S 16 0xFF1FF01F, // Cl 17 0xFF80D1E3, // Ar 18 0xFF8F40D4, // K 19 0xFF3DFF00, // Ca 20 0xFFE6E6E6, // Sc 21 0xFFBFC2C7, // Ti 22 0xFFA6A6AB, // V 23 0xFF8A99C7, // Cr 24 0xFF9C7AC7, // Mn 25 0xFFE06633, // Fe 26 - changed from ghemical 0xFFF090A0, // Co 27 - changed from ghemical 0xFF50D050, // Ni 28 - changed from ghemical 0xFFC88033, // Cu 29 - changed from ghemical 0xFF7D80B0, // Zn 30 0xFFC28F8F, // Ga 31 0xFF668F8F, // Ge 32 0xFFBD80E3, // As 33 0xFFFFA100, // Se 34 0xFFA62929, // Br 35 0xFF5CB8D1, // Kr 36 0xFF702EB0, // Rb 37 0xFF00FF00, // Sr 38 0xFF94FFFF, // Y 39 0xFF94E0E0, // Zr 40 0xFF73C2C9, // Nb 41 0xFF54B5B5, // Mo 42 0xFF3B9E9E, // Tc 43 0xFF248F8F, // Ru 44 0xFF0A7D8C, // Rh 45 0xFF006985, // Pd 46 0xFFC0C0C0, // Ag 47 - changed from ghemical 0xFFFFD98F, // Cd 48 0xFFA67573, // In 49 0xFF668080, // Sn 50 0xFF9E63B5, // Sb 51 0xFFD47A00, // Te 52 0xFF940094, // I 53 0xFF429EB0, // Xe 54 0xFF57178F, // Cs 55 0xFF00C900, // Ba 56 0xFF70D4FF, // La 57 0xFFFFFFC7, // Ce 58 0xFFD9FFC7, // Pr 59 0xFFC7FFC7, // Nd 60 0xFFA3FFC7, // Pm 61 0xFF8FFFC7, // Sm 62 0xFF61FFC7, // Eu 63 0xFF45FFC7, // Gd 64 0xFF30FFC7, // Tb 65 0xFF1FFFC7, // Dy 66 0xFF00FF9C, // Ho 67 0xFF00E675, // Er 68 0xFF00D452, // Tm 69 0xFF00BF38, // Yb 70 0xFF00AB24, // Lu 71 0xFF4DC2FF, // Hf 72 0xFF4DA6FF, // Ta 73 0xFF2194D6, // W 74 0xFF267DAB, // Re 75 0xFF266696, // Os 76 0xFF175487, // Ir 77 0xFFD0D0E0, // Pt 78 - changed from ghemical 0xFFFFD123, // Au 79 - changed from ghemical 0xFFB8B8D0, // Hg 80 - changed from ghemical 0xFFA6544D, // Tl 81 0xFF575961, // Pb 82 0xFF9E4FB5, // Bi 83 0xFFAB5C00, // Po 84 0xFF754F45, // At 85 0xFF428296, // Rn 86 0xFF420066, // Fr 87 0xFF007D00, // Ra 88 0xFF70ABFA, // Ac 89 0xFF00BAFF, // Th 90 0xFF00A1FF, // Pa 91 0xFF008FFF, // U 92 0xFF0080FF, // Np 93 0xFF006BFF, // Pu 94 0xFF545CF2, // Am 95 0xFF785CE3, // Cm 96 0xFF8A4FE3, // Bk 97 0xFFA136D4, // Cf 98 0xFFB31FD4, // Es 99 0xFFB31FBA, // Fm 100 0xFFB30DA6, // Md 101 0xFFBD0D87, // No 102 0xFFC70066, // Lr 103 0xFFCC0059, // Rf 104 0xFFD1004F, // Db 105 0xFFD90045, // Sg 106 0xFFE00038, // Bh 107 0xFFE6002E, // Hs 108 0xFFEB0026, // Mt 109 }; }