Merge branch 'master' of https://github.com/joelvbernier/hexrd

pulling Don's recent pull request in

Author: Joel Bernier

hexrd/qt/materialsdialog.py

@@ -1,27 +1,22 @@
 from PyQt4 import QtGui, QtCore, uic
 
 from hexrd.xrd import spacegroup
+from hexrd.xrd.material import Material
 from .resources import resources
 
-
-class Material(object):
-
-    # this is just a placeholder
-    pass
-
-
-
 class MaterialDialogController(QtGui.QDialog):
 
 
-    @property
-    def material(self):
-        return None
-
-
     def __init__(self, name=None):
+
         super(MaterialDialogController, self).__init__()
         uic.loadUi(resources['materialsdialog.ui'], self)
+
+        self._mat = Material()
+        # in order: a, b, c, alpha, beta, gamma
+        self._lpboxes = [self.doubleSpinBox_2, self.doubleSpinBox_4,
+                         self.doubleSpinBox_3, self.doubleSpinBox_7,
+                         self.doubleSpinBox_5, self.doubleSpinBox_6 ]
         self._config_ui()
 
         self.load_settings()
@@ -43,10 +38,24 @@ def _config_ui(self):
 
         self.spaceGroupComboBox.setCurrentIndex(522)
 
+    def _lp_blocksignals(self, tf):
+        self.doubleSpinBox_2.blockSignals(tf)
+        self.doubleSpinBox_3.blockSignals(tf)
+        self.doubleSpinBox_4.blockSignals(tf)
+        self.doubleSpinBox_5.blockSignals(tf)
+        self.doubleSpinBox_6.blockSignals(tf)
+        self.doubleSpinBox_7.blockSignals(tf)
 
     def load_settings(self):
         pass
 
+    @property
+    def material(self):
+        return self._mat
+
+    @property
+    def lpboxes(self):
+        return self._lpboxes
 
     @QtCore.pyqtSlot(name='on_buttonBox_accepted')
     def save_settings(self):
@@ -75,6 +84,60 @@ def set_spacegroup(self, val):
             self.hallSymbolComboBox.blockSignals(False)
             self.hermannMauguinComboBox.blockSignals(False)
 
+    @QtCore.pyqtSlot(int, name='on_spaceGroupComboBox_currentIndexChanged')
+    def enable_latparams(self, val):
+        """enable independent lattice parameters"""
+        # lattice parameters are stored in the old "ValUnit" class
+        self._lp_blocksignals(True)
+        nlp = 6
+        A  = 'angstrom'
+        D  = 'degrees'
+        m = self.material
+        sgid = int(self.spaceGroupComboBox.currentText().split(':')[0])
+        self.material.sgnum = sgid
+        reqp = m.spaceGroup.reqParams
+        lprm = m.latticeParameters
+        for i in range(nlp):
+            boxi = self.lpboxes[i]
+            boxi.setEnabled(i in reqp)
+            u = A if i < 3 else D
+            boxi.setValue(lprm[i].getVal(u))
+        self._lp_blocksignals(False)
+
+    @QtCore.pyqtSlot(float, name='on_doubleSpinBox_2_valueChanged')
+    @QtCore.pyqtSlot(float, name='on_doubleSpinBox_3_valueChanged')
+    @QtCore.pyqtSlot(float, name='on_doubleSpinBox_4_valueChanged')
+    @QtCore.pyqtSlot(float, name='on_doubleSpinBox_5_valueChanged')
+    @QtCore.pyqtSlot(float, name='on_doubleSpinBox_6_valueChanged')
+    @QtCore.pyqtSlot(float, name='on_doubleSpinBox_7_valueChanged')
+    def set_latparams(self, val):
+        """update all the lattice parameter boxes when one changes"""
+        # note: material takes reduced set of lattice parameters but outputs
+        #       all six
+        self._lp_blocksignals(True)
+        nlp = 6
+        A  = 'angstrom'
+        D  = 'degrees'
+        m = self.material
+        reqp = m.spaceGroup.reqParams
+        nreq = len(reqp)
+        lp_red = nreq*[0.0]
+        for i in range(nreq):
+            boxi = self.lpboxes[reqp[i]]
+            lp_red[i] = boxi.value()
+        m.latticeParameters = lp_red
+        lprm = m.latticeParameters
+        for i in range(nlp):
+            u = A if i < 3 else D
+            boxi = self.lpboxes[i]
+            boxi.setValue(lprm[i].getVal(u))
+        self._lp_blocksignals(False)
+
+    @QtCore.pyqtSlot(name='on_lineEdit_6_editingFinished')
+    def set_name(self):
+        n = self.lineEdit_6.text()
+        print n, type(n)
+        self.material.name = self.lineEdit_6.text()
 
     def not_implemented(self):
         dlg = QtGui.QMessageBox.information(

hexrd/qt/resources/materialsdialog.ui

@@ -13,6 +13,10 @@
   <property name="windowTitle">
    <string>Dialog</string>
   </property>
+  <property name="styleSheet">
+   <string notr="true">QDoubleSpinBox:disabled {background-color: LightGray;}
+</string>
+  </property>
   <layout class="QHBoxLayout" name="horizontalLayout_2">
    <item>
     <layout class="QVBoxLayout" name="verticalLayout">
@@ -277,6 +281,9 @@
         </item>
         <item row="3" column="3">
          <widget class="QDoubleSpinBox" name="doubleSpinBox_4">
+          <property name="autoFillBackground">
+           <bool>true</bool>
+          </property>
           <property name="alignment">
            <set>Qt::AlignCenter</set>
           </property>

hexrd/xrd/material.py

@@ -67,8 +67,8 @@ class Material(object):
     """Fractional Atom Position of an atom in the unit cell followed by the
     number of electrons within that atom. The max number of electrons is 96.
     """
-    
-    
+
+
     #
     def __init__(self, name=DFLT_NAME, cfgP=None):
         """Constructor for Material
@@ -77,8 +77,8 @@ def __init__(self, name=DFLT_NAME, cfgP=None):
         cfgP -- (instance) configuration file parser with
              -- the material name as a section
         """
-        
-        
+
+
         #
         self.name = name
         self.description = ''
@@ -191,7 +191,7 @@ def _toSixLP(self, sgn, lp):
             pass
 
         return lp6
-        
+
     #
     # ============================== API
     #
@@ -288,8 +288,8 @@ def _set_latticeParameters(self, v):
 """
     latticeParameters = property(_get_latticeParameters, _set_latticeParameters,
                                  None, lpdoc)
-                                 
-                                 
+
+
 
     # property:  "name"
 
@@ -305,27 +305,27 @@ def _set_name(self, v):
 
     name = property(_get_name, _set_name, None,
                     "Name of material" )
-    
-    
-    
-    # property: "atominfo"   
+
+
+
+    # property: "atominfo"
     def _get_atominfo(self):
         """Set method for name"""
         return self._atominfo
 
     def _set_atominfo(self, v):
         """Set method for name"""
-        if v.shape[1]==4:        
+        if v.shape[1]==4:
             self._atominfo= v
         else:
-            print("Improper syntax, array must be n x 4")            
+            print("Improper syntax, array must be n x 4")
 
         return
 
     atominfo = property(_get_atominfo, _set_atominfo, None,
-                    "Information about atomic positions and electron number" )    
-    
-    
+                    "Information about atomic positions and electron number" )
+
+
     #
     #  ========== Methods
     #