From 76528375c0b220cd59be2127d86b406b220c3e4e Mon Sep 17 00:00:00 2001 From: gmungoc Date: Sun, 28 Jun 2020 11:42:02 +0100 Subject: [PATCH] JAL-3551 PyMOL command constants tidied --- src/jalview/ext/pymol/PymolCommands.java | 55 ++++++++++++++++-------------- 1 file changed, 30 insertions(+), 25 deletions(-) diff --git a/src/jalview/ext/pymol/PymolCommands.java b/src/jalview/ext/pymol/PymolCommands.java index f382173..36957f5 100644 --- a/src/jalview/ext/pymol/PymolCommands.java +++ b/src/jalview/ext/pymol/PymolCommands.java @@ -2,6 +2,7 @@ package jalview.ext.pymol; import java.awt.Color; import java.util.ArrayList; +import java.util.Arrays; import java.util.List; import java.util.Map; @@ -22,25 +23,31 @@ import jalview.structure.StructureCommandsBase; */ public class PymolCommands extends StructureCommandsBase { - private static final StructureCommand CLOSE_PYMOL = new StructureCommand("quit"); + // https://pymol.org/dokuwiki/doku.php?id=command:zoom + // not currently documented on + // https://pymolwiki.org/index.php/Category:Commands + private static final StructureCommand FOCUS_VIEW = new StructureCommand( + "zoom"); - private static final StructureCommand COLOUR_BY_CHAIN = new StructureCommand("spectrum", "chain"); + // https://pymolwiki.org/index.php/Quit + private static final StructureCommand CLOSE_PYMOL = new StructureCommand( + "quit"); - private static final List COLOR_BY_CHARGE = new ArrayList<>(); + // not currently documented on + // https://pymolwiki.org/index.php/Category:Commands + private static final StructureCommand COLOUR_BY_CHAIN = new StructureCommand( + "spectrum", "chain"); - private static final List SHOW_BACKBONE = new ArrayList<>(); + private static final List COLOR_BY_CHARGE = Arrays + .asList(new StructureCommand("color", "white", "*"), + new StructureCommand("color", "red", "resn ASP resn GLU"), + new StructureCommand("color", "blue", + "resn LYS resn ARG"), + new StructureCommand("color", "yellow", "resn CYS")); - static { - COLOR_BY_CHARGE.add(new StructureCommand("color", "white", "*")); - COLOR_BY_CHARGE - .add(new StructureCommand("color", "red", "resn ASP resn GLU")); - COLOR_BY_CHARGE.add( - new StructureCommand("color", "blue", "resn LYS resn ARG")); - COLOR_BY_CHARGE - .add(new StructureCommand("color", "yellow", "resn CYS")); - SHOW_BACKBONE.add(new StructureCommand("hide", "everything")); - SHOW_BACKBONE.add(new StructureCommand("show", "ribbon")); - } + private static final List SHOW_BACKBONE = Arrays + .asList(new StructureCommand("hide", "everything"), + new StructureCommand("show", "ribbon")); @Override public StructureCommandI colourByChain() @@ -77,9 +84,7 @@ public class PymolCommands extends StructureCommandsBase @Override public StructureCommandI focusView() { - // https://pymol.org/dokuwiki/doku.php?id=command:zoom - // not currently documented on https://pymolwiki.org/index.php/Category:Commands - return new StructureCommand("zoom"); + return FOCUS_VIEW; } @Override @@ -94,7 +99,8 @@ public class PymolCommands extends StructureCommandsBase { chains.append(" chain ").append(chain); } - commands.add(new StructureCommand("show", "cartoon", chains.toString())); + commands.add( + new StructureCommand("show", "cartoon", chains.toString())); return commands; } @@ -232,7 +238,7 @@ public class PymolCommands extends StructureCommandsBase final AtomSpecModel colourData = colourMap.get(colour); commands.add(getColourCommand(colourData, colour)); } - + return commands; } @@ -250,8 +256,7 @@ public class PymolCommands extends StructureCommandsBase * @return */ protected StructureCommandI setAttribute(String attributeName, - String attributeValue, - AtomSpecModel atomSpecModel) + String attributeValue, AtomSpecModel atomSpecModel) { StringBuilder sb = new StringBuilder(128); sb.append("p.").append(attributeName).append("='") @@ -285,13 +290,13 @@ public class PymolCommands extends StructureCommandsBase for (String featureType : featureMap.keySet()) { String attributeName = makeAttributeName(featureType); - + /* * todo: clear down existing attributes for this feature? */ // commands.add(new StructureCommand("iterate", "all", // "p."+attributeName+"='None'"); //? - + Map values = featureMap.get(featureType); for (Object value : values.keySet()) { @@ -308,7 +313,7 @@ public class PymolCommands extends StructureCommandsBase commands.add(cmd); } } - + return commands; } -- 1.7.10.2