From: Michael T H. <mic...@us...> - 2004-03-27 09:31:43
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Update of /cvsroot/jmol/Jmol/src/org/openscience/jmol/viewer In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv16021/src/org/openscience/jmol/viewer Modified Files: JmolConstants.java Log Message: changed atomID registration mechanism to be from a fixed specialAtomID table Index: JmolConstants.java =================================================================== RCS file: /cvsroot/jmol/Jmol/src/org/openscience/jmol/viewer/JmolConstants.java,v retrieving revision 1.80 retrieving revision 1.81 diff -u -r1.80 -r1.81 --- JmolConstants.java 26 Mar 2004 18:17:51 -0000 1.80 +++ JmolConstants.java 27 Mar 2004 09:20:36 -0000 1.81 @@ -1822,18 +1822,21 @@ 0xFFffffff, // pewhite }; - public final static short ATOMID_MAINCHAIN_MAX = 4; + public final static int SPECIALATOMID_MAINCHAIN_MAX = 4; // some pdbfiles do not have sidechain atoms labeled properly // we call these MAINCHAIN_IMPOSTERS // the residue will accept the first atom with the proper name // others will get their atomid changed - public final static short ATOMID_MAINCHAIN_IMPOSTERS = 4; + public final static int SPECIALATOMID_MAINCHAIN_IMPOSTERS = 4; - public final static String[] predefinedAtomNames4 = { + public final static String[] specialAtomNames = { "N", // 0 "CA", "C", "O", // 3 + // note that these entries are really no longer used + // remove them when we rearrange the specialAtomName + // and redefine the predefined set expressions "N", // imposter N "C", // imposter CA "C", // imposter C @@ -1862,42 +1865,8 @@ "H5T", "H3T", "2HO*", // 30 - /* - " N ", // 0 - " CA ", - " C ", - " O ", // 3 - " N ", // imposter N - " C ", // imposter CA - " C ", // imposter C - " O ", // imposter O - - " P ", - " O1P", - " O2P", // 10 - " O3P", - " O5*", - " O4*", - " O3*", - " O2*", // 15 - " C5*", - " C4*", - " C3*", - " C2*", - " C1*", // 20 - "1H5*", - "2H5*", - " H4*", - " H3*", - "1H2*", // 25 - "2H2*", - " H1*", - " H5T", - " H3T", - "2HO*", // 30 - */ }; - + public final static short RESID_AMINO_MAX = 22; /**************************************************************** |