/*
- * Jalview - A Sequence Alignment Editor and Viewer
- * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
- *
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
- * of the License, or (at your option) any later version.
- *
- * This program 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 General Public License for more details.
- *
- * You should have received a copy of the GNU General Public License
- * along with this program; if not, write to the Free Software
- * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.7)
+ * Copyright (C) 2011 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle
+ *
+ * This file is part of Jalview.
+ *
+ * Jalview is free software: you can redistribute it and/or
+ * modify it under the terms of the GNU General Public License
+ * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
+ *
+ * Jalview 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 General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License along with Jalview. If not, see <http://www.gnu.org/licenses/>.
*/
package MCview;
public class Atom
{
public float x;
+
public float y;
+
public float z;
+
public int number;
+
public String name;
+
public String resName;
+
public int resNumber;
+
public char insCode = ' ';
+
public String resNumIns = null;
+
public int type;
+
Color color = Color.lightGray;
+
public String chain;
+
+ /**
+ * this is a temporary value - designed to store the position in sequence that this atom corresponds to after aligning the chain to a SequenceI object. Do not rely on its value being correct when visualizing sequence colourings on the structure - use the StructureSelectionManager's mapping instead.
+ */
public int alignmentMapping = -1;
+
public int atomIndex;
- public float occupancy=0;
- public float tfactor=0;
+
+ public float occupancy = 0;
+
+ public float tfactor = 0;
+ // need these if we ever want to export Atom data
+ // public boolean tfacset=true,occset=true;
public boolean isSelected = false;
public Atom(String str)
this.x = (float) (new Float(str.substring(30, 38).trim()).floatValue());
this.y = (float) (new Float(str.substring(38, 46).trim()).floatValue());
this.z = (float) (new Float(str.substring(47, 55).trim()).floatValue());
- occupancy = (float) (new Float(str.substring(54,60).trim()).floatValue());
- tfactor = (float) (new Float(str.substring(60,66).trim()).floatValue());
+ // optional entries - see JAL-730
+ String tm = str.substring(54, 60).trim();
+ if (tm.length()>0) {
+ occupancy = (float) (new Float(tm)).floatValue();
+ } else {
+ occupancy = 1f; // default occupancy
+ // see note above: occset=false;
+ }
+ tm = str.substring(60, 66).trim();
+ if (tm.length()>0)
+ {
+ tfactor = (float) (new Float(tm).floatValue());
+ } else {
+ tfactor = 1f;
+ //see note above: tfacset=false;
+ }
}
public Atom(float x, float y, float z)
this.y = y;
this.z = z;
}
- // public void setColor(Color col) {
- // this.color = col;
- // }
+ // public void setColor(Color col) {
+ // this.color = col;
+ // }
}