Changeset 4118 for trunk/imports/G2pwd_rigaku.py

Timestamp:

Aug 28, 2019 12:32:39 PM (3 years ago)

Author:

vondreele

Message:

new import routine for Rigaku powder data .ras files

File:

• trunk/imports/G2pwd_rigaku.py (modified) (2 diffs)

trunk/imports/G2pwd_rigaku.py

@@ -10 +10 @@
 from __future__ import division, print_function
 import os
+import platform
 import numpy as np
 import GSASIIobj as G2obj
 import GSASIIpath
 GSASIIpath.SetVersionNumber("$Revision: $")
-class Rigaku_ReaderClass(G2obj.ImportPowderData):
+class Rigaku_txtReaderClass(G2obj.ImportPowderData):
     '''Routines to import powder data from a Rigaku .txt file with an angle and
     then 1 or 11(!) intensity values on the line. The example file is proceeded
@@ -135 +136 @@
         self.idstring = os.path.basename(filename)
         return True
+class Rigaku_rasReaderClass(G2obj.ImportPowderData):
+    '''Routines to import powder data from a Rigaku .ras file with multiple scans. 
+    All scans will be imported as individual PWDR entries
+    '''
+    def __init__(self):
+        super(self.__class__,self).__init__( # fancy way to self-reference
+            extensionlist=('.ras','.RAS'),
+            strictExtension=True,
+            formatName = 'Rigaku .ras file',
+            longFormatName = 'Rigaku .ras raw multipattern powder data'
+            )
+        self.scriptable = True
+        self.vals = None
+        self.stepsize = None
+        self.skip = 0
+
+    # Validate the contents -- make sure we only have valid lines and set
+    # values we will need for later read.
+    def ContentsValidator(self, filename):
+        if '2' in platform.python_version_tuple()[0]:
+            fp = open(filename,'Ur')
+        else:
+            fp = open(filename,'r',encoding='latin-1')
+        self.vals = None
+        self.stepsize = None
+        fp.seek(0)
+        if fp.readline()[:-1] != '*RAS_DATA_START':
+            self.errors = 'Bad ras file'
+            fp.close()
+            return False
+        nBanks= 0
+        for i,line in enumerate(fp):
+            if line[:-1] == '*RAS_HEADER_START':
+                nBanks += 1
+                self.dnames.append(os.path.basename(filename)+' sample '+(str(nBanks)))
+        if nBanks:
+            if not len(self.selections):
+                self.selections = range(nBanks)
+                self.numbanks = nBanks
+        fp.close()
+        return True
+
+    def Reader(self,filename, ParentFrame=None, **kwarg):
+        'Read a Rigaku .ras file'
+        if '2' in platform.python_version_tuple()[0]:
+            fp = open(filename,'Ur')
+        else:
+            fp = open(filename,'r',encoding='latin-1')
+        blockNum = self.selections[0]
+        x = []
+        y = []
+        w = []
+        block = 0
+        while True:
+            line = fp.readline()[:-1]
+            if line != '*RAS_INT_START':
+                continue
+            if block == blockNum:
+                line = fp.readline()[:-1]
+                while True:
+                    if line == '*RAS_INT_END':
+                        break
+                    sline = line.split()
+                    x.append(float(sline[0]))
+                    y.append(float(sline[1]))
+                    w.append(1.0/max(1.,float(y[-1])))
+                    line = fp.readline()[:-1]
+                break
+            block += 1            
+        N = len(x)
+        self.powderdata = [
+            np.array(x), # x-axis values
+            np.array(y), # powder pattern intensities
+            np.array(w), # 1/sig(intensity)^2 values (weights)
+            np.zeros(N), # calc. intensities (zero)
+            np.zeros(N), # calc. background (zero)
+            np.zeros(N), # obs-calc profiles
+            ]
+        self.powderentry[0] = self.dnames[blockNum]
+        #self.powderentry[2] = 1 # xye file only has one bank
+        self.idstring = self.dnames[blockNum]
+        self.selections.remove(blockNum)
+        self.repeat = False
+        if len(self.selections):
+            self.repeat = True
+        return True