Startup

2019-03-20 13:52:00 +01:00
parent 3084fe0510
commit 5db0f78aee
910 changed files with 191152 additions and 322 deletions
--- a/script/__Lib/diffcalc/startup/_demo.py
+++ b/script/__Lib/diffcalc/startup/_demo.py
@@ -0,0 +1,151 @@
+'''
+Created on 19 Feb 2017
+
+@author: zrb13439
+'''
+
+import diffcmd.ipython
+
+try:
+    __IPYTHON__  # @UndefinedVariable
+    IPYTHON = True
+except NameError:
+    IPYTHON = False
+    
+
+GEOMETRIES = ['sixc', 'fivec', 'fourc', 'i16', 'i21']
+
+
+def echo(cmd):
+    print "\n>>> " + str(cmd)
+
+    
+def print_heading(s):
+    print '\n' + '=' * len(s) + '\n' + s + '\n' + '=' * len(s)
+
+
+class Demo(object):
+    
+    def __init__(self, namespace, geometry):
+        self.namespace = namespace
+        assert geometry in GEOMETRIES
+        self.geometry = geometry
+
+    def all(self):
+        self.orient()
+        self.constrain()
+        self.scan()
+                 
+    def orient(self):
+        print_heading('Orientation demo')
+        self.remove_test_ubcalc()
+        
+        pos_cmd_001 = {
+            'sixc': 'pos sixc [0 60 0 30 90 0]', # mu, delta, gam, eta, chi, phi
+            'i16': 'pos sixc [0 90 30 0 60 0]', #  phi, chi, eta, mu, delta, gam
+            'i21': 'pos fourc [60 30 0 0]',
+            'fivec': 'pos fivec [60 0 30 90 0]',
+            'fourc': 'pos fourc [60 30 90 0]'
+            }[self.geometry]
+ 
+        pos_cmd_011 = {
+            'sixc': 'pos sixc [0 90 0 45 45 90]', # mu, delta, gam, eta, chi, phi
+            'i16': 'pos sixc [90 45 45 0 90 0]', #  phi, chi, eta, mu, delta, gam
+            'i21': 'pos fourc [90 90 0 0]',
+            'fivec': 'pos fivec [90 0 45 45 90]',
+            'fourc': 'pos fourc [90 45 45 90]'
+            }[self.geometry]
+                   
+        self.echorun_magiccmd_list([
+            'help ub',
+            'pos wl 1',
+            "newub 'test'",
+            "setlat 'cubic' 1 1 1 90 90 90",
+            'ub',
+            'c2th [0 0 1]',
+            pos_cmd_001,
+            'addref [0 0 1]',
+            'c2th [0 1 1]',
+            pos_cmd_011,
+            'addref [0 1 1]',
+            'ub',
+            'checkub'])
+        
+    def constrain(self):
+        print_heading('Constraint demo')
+        con_qaz_cmd = '' if self.geometry in ('fourc', 'i21') else 'con qaz 90'
+        con_mu_cmd = 'con mu 0' if self.geometry in ('sixc', 'i16') else ''
+        setmin_chi = 'setmin chi -180' if self.geometry == 'i21' else 'setmin chi 0'
+        setmin_phi = 'setmin phi -180' if self.geometry == 'i21' else ''
+        setmax_phi = 'setmax phi 180' if self.geometry == 'i21' else ''
+        self.echorun_magiccmd_list([
+            'help hkl',
+            con_qaz_cmd,
+            'con a_eq_b',
+            con_mu_cmd,
+            'con',
+            'setmin delta 0',
+            setmin_chi,
+            setmin_phi,
+            setmax_phi])
+            
+    def scan(self):
+        print_heading('Scanning demo')
+        if self.geometry == 'i16':
+            diff_name = 'sixc'
+        elif self.geometry == 'i21':
+            diff_name = 'fourc'
+        else:
+            diff_name = self.geometry
+        self.echorun_magiccmd_list([
+            'setnphi [0 0 1]' if self.geometry == 'i21' else '',
+            'pos hkl [0 0 1]' if self.geometry == 'i21' else 'pos hkl [1 0 0]',
+            'scan delta 40 90 10 hkl ct 1',
+            'pos hkl [0 1 0]',
+            'scan h 0 1 .2 k l %s ct 1' % diff_name,
+            'con psi',
+            'scan psi 0 90 10 hkl [1 0 1] eta chi phi ct .1'])
+ 
+    def echorun_magiccmd_list(self, magic_cmd_list):
+        for cmd in magic_cmd_list:
+            self.echorun_magiccmd(cmd)
+            
+    def remove_test_ubcalc(self):
+        try:
+            eval("rmub('test')", self.namespace)
+        except (OSError, KeyError):
+            pass
+ 
+    def echorun_magiccmd(self, magic_cmd):
+        if IPYTHON:
+            from IPython import get_ipython
+            echo(magic_cmd)
+            get_ipython().magic(magic_cmd) 
+        else:  # Python
+            # python's help is interactive. Handle specially 
+            if magic_cmd == 'help ub':
+                
+                echo("help ub")
+                exec("print ub.__doc__", self.namespace)
+                return
+            if magic_cmd == 'help hkl':
+                echo("help(hkl)")
+                exec("print hkl.__doc__", self.namespace)
+                return  
+            
+            # Echo the Python version of the magic command   
+            tokens = diffcmd.ipython.tokenify(magic_cmd)
+            if not tokens:
+                return
+            python_cmd = tokens.pop(0) + '(' + ', '.join(tokens) + ')'
+            python_cmd = python_cmd.replace('[, ', '[')
+            python_cmd = python_cmd.replace(',]', ']')
+            python_cmd = python_cmd.replace(', ]', ']')
+            echo(python_cmd)
+            
+            # Run the Python version of the magic command
+            elements = diffcmd.ipython.parse(magic_cmd, self.namespace)
+            func = elements.pop(0)
+            result = func(*elements)
+            if result:
+                print result