source: trunk/GSASIIpy3.py @ 3136

Last change on this file since 3136 was 3136, checked in by vondreele, 4 years ago

make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes:
do from future import division, print_function for all GSAS-II py sources
all menu items revised to be py 2.7/3.6 compliant
all wx.OPEN --> wx.FD_OPEN in file dialogs
all integer divides (typically for image pixel math) made explicit with ; ambiguous ones made floats as appropriate
all print "stuff" --> print (stuff)
all print >> pFile,'stuff' --> pFile.writeCIFtemplate('stuff')
all read file opens made explicit 'r' or 'rb'
all cPickle imports made for py2.7 or 3.6 as cPickle or _pickle; test for '2' platform.version_tuple[0] for py 2.7
define cPickleload to select load(fp) or load(fp,encoding='latin-1') for loading gpx files; provides cross compatibility between py 2.7/3.6 gpx files
make dict.keys() as explicit list(dict.keys()) as needed (NB: possible source of remaining py3.6 bugs)
make zip(a,b) as explicit list(zip(a,b)) as needed (NB: possible source of remaining py3.6 bugs)
select unichr/chr according test for '2' platform.version_tuple[0] for py 2.7 (G2pwdGUI * G2plot) for special characters
select wg.EVT_GRID_CELL_CHANGE (classic) or wg.EVT_GRID_CELL_CHANGED (phoenix) in grid Bind
maxint --> maxsize; used in random number stuff
raise Exception,"stuff" --> raise Exception("stuff")
wx 'classic' sizer.DeleteWindows?() or 'phoenix' sizer.Clear(True)
wx 'classic' SetToolTipString?(text) or 'phoenix' SetToolTip?(wx.ToolTip?(text)); define SetToolTipString?(self,text) to handle the choice in plots
status.SetFields? --> status.SetStatusText?
'classic' AddSimpleTool? or 'phoenix' self.AddTool? for plot toolbar; Bind different as well
define GetItemPydata? as it doesn't exist in wx 'phoenix'
allow python versions 2.7 & 3.6 to run GSAS-II
Bind override commented out - no logging capability (NB: remove all logging code?)
all import ContentsValidator? open filename & test if valid then close; filepointer removed from Reader
binary importers (mostly images) test for 'byte' type & convert as needed to satisfy py 3.6 str/byte rules

  • Property svn:eol-style set to native
  • Property svn:keywords set to Date Author Revision URL Id
File size: 7.3 KB
Line 
1'''
2*GSASIIpy3: Python 3.x Routines*
3================================
4
5Module to hold python 3-compatible code, to keep it separate from
6code that will break with __future__ options.
7
8'''
9from __future__ import division, print_function
10import numpy as np
11import GSASIIpath
12GSASIIpath.SetVersionNumber("$Revision: 3136 $")
13# declare symbol (pi) and functions allowed in expressions
14sind = sin = s = lambda x: np.sin(x*np.pi/180.)
15cosd = cos = c = lambda x: np.cos(x*np.pi/180.)
16tand = tan = t = lambda x: np.tan(x*np.pi/180.)
17sqrt = sq = lambda x: np.sqrt(x)
18pi = np.pi
19
20def FormulaEval(string):
21    '''Evaluates a algebraic formula into a float, if possible. Works
22    properly on fractions e.g. 2/3 only with python 3.0+ division.
23
24    Expressions such as 2/3, 3*pi, sin(45)/2, 2*sqrt(2), 2**10 can all
25    be evaluated.
26
27    :param str string: Character string containing a Python expression
28      to be evaluated.
29
30    :returns: the value for the expression as a float or None if the expression does not
31      evaluate to a valid number.
32   
33    '''
34    try:
35        val = float(eval(string))
36        if np.isnan(val) or np.isinf(val): return None
37    except:
38        return None
39    return val
40
41def FormatPadValue(val,maxdigits=None):
42    '''Format a float to fit in ``maxdigits[0]`` spaces with maxdigits[1] after decimal.
43
44    :param float val: number to be formatted.
45
46    :param list maxdigits: the number of digits & places after decimal to be used for display of the
47      number (defaults to [10,2]).
48
49    :returns: a string with exactly maxdigits[0] characters (except under error conditions),
50      but last character will always be a space
51    '''
52    if maxdigits is None:
53        digits = [10,2]
54    else:
55        digits = list(maxdigits)
56    fmt = '{:'+str(digits[0])+'}'
57    s = fmt.format(FormatValue(val,digits))
58    if s[-1] == ' ':
59        return s
60    else:
61        return s+' '
62   
63
64def FormatValue(val,maxdigits=None):
65    '''Format a float to fit in at most ``maxdigits[0]`` spaces with maxdigits[1] after decimal.
66    Note that this code has been hacked from FormatSigFigs and may have unused sections.
67
68    :param float val: number to be formatted.
69
70    :param list maxdigits: the number of digits, places after decimal and 'f' or 'g' to be used for display of the
71      number (defaults to [10,2,'f']).
72
73    :returns: a string with <= maxdigits characters (usually). 
74    '''
75    if 'str' in str(type(val)) and (val == '?' or val == '.'):
76        return val       
77    if maxdigits is None:
78        digits = [10,2,'f']
79    else:
80        digits = list(maxdigits)
81    if len(digits) == 2:
82        digits.append('f')
83    if not val:
84        digits[2] = 'f'
85    fmt="{:"+str(digits[0])+"."+str(digits[1])+digits[2]+"}"
86    string = fmt.format(float(val)).strip() # will standard .f formatting work?
87    if len(string) <= digits[0]:
88        if ':' in string: # deal with weird bug where a colon pops up in a number when formatting (EPD 7.3.2!)
89            string = str(val)
90        if digits[1] > 0: # strip off extra zeros on right side
91            string = string.rstrip('0')
92            if string[-1] == '.': string += "0"
93        return string
94    if val < 0: digits[0] -= 1 # negative numbers, reserve space for the sign
95    decimals = digits[0] - digits[1]
96    if abs(val) > 1e99: # for very large numbers, use scientific notation and use all digits
97        fmt = "{" + (":{:d}.{:d}g".format(digits[0],digits[0]-6))+"}"
98    elif abs(val) > 1e9:
99        fmt = "{" + (":{:d}.{:d}g".format(digits[0],digits[0]-5))+"}"
100    elif abs(val) < 10**(4-decimals): # make sure at least 4 decimals show
101        # this clause is probably no longer needed since the number probably shows as 0.0
102        decimals = min(digits[0]-5,digits[1])
103        fmt = "{" + (":{:d}.{:d}g".format(digits[0],decimals))+"}"
104    elif abs(val) >= 10**(decimals-1): # deal with large numbers in smaller spaces
105        decimals = max(0,digits[0]-5)
106        fmt = "{" + (":{:d}.{:d}g".format(digits[0],decimals))+"}"
107    elif abs(val) < 1: # use f format for small numbers
108        # this clause is probably no longer needed since the number probably shows as 0.0
109        decimals = min(digits[0]-3,digits[1])
110        fmt = "{" + (":{:d}.{:d}f".format(digits[0],decimals))+"}"
111    else: # in range where g formatting should do what I want
112        # used?
113        decimals = digits[0] - 1
114        fmt = "{" + (":{:d}.{:d}g".format(digits[0],decimals))+"}"
115    try:
116        return fmt.format(float(val)).strip()
117    except ValueError:
118        print ('FormatValue Error with val,maxdigits,fmt= %f %d %s'%(val,maxdigits,fmt))
119        return str(val)
120
121def FormatSigFigs(val, maxdigits=10, sigfigs=5, treatAsZero=1e-20):
122    '''Format a float to use ``maxdigits`` or fewer digits with ``sigfigs``
123    significant digits showing (if room allows).
124
125    :param float val: number to be formatted.
126
127    :param int maxdigits: the number of digits to be used for display of the
128       number (defaults to 10).
129
130    :param int sigfigs: the number of significant figures to use, if room allows
131
132    :param float treatAsZero: numbers that are less than this in magnitude
133      are treated as zero. Defaults to 1.0e-20, but this can be disabled
134      if set to None.
135
136    :returns: a string with <= maxdigits characters (I hope). 
137    '''
138    if 'str' in str(type(val)) and (val == '?' or val == '.'):
139        return val       
140    if treatAsZero is not None:
141        if abs(val) < treatAsZero:
142            return '0.0'
143    # negative numbers, leave room for a sign
144    if np.isnan(val):
145        return str(val)
146    if val < 0: maxdigits -= 1       
147    if abs(val) < 1e-99 or abs(val) > 9.999e99:
148        decimals = min(maxdigits-6,sigfigs)
149        fmt = "{" + (":{:d}.{:d}g".format(maxdigits,decimals))+"}" # create format string
150    elif abs(val) < 1e-9 or abs(val) > 9.999e9:
151        decimals = min(maxdigits-5,sigfigs)
152        fmt = "{" + (":{:d}.{:d}g".format(maxdigits,decimals))+"}"
153    elif abs(val) < 9.9999999*10**(sigfigs-maxdigits):
154        decimals = min(maxdigits-5,sigfigs)
155        fmt = "{" + (":{:d}.{:d}g".format(maxdigits,decimals))+"}"
156    elif abs(val) >= 10**sigfigs: # deal with large numbers in smaller spaces
157        decimals = min(maxdigits-5,sigfigs)
158        fmt = "{" + (":{:d}.{:d}g".format(maxdigits,decimals))+"}"
159    elif abs(val) < 1: # small numbers, add to decimal places
160        decimals = sigfigs - int(np.log10(np.abs(val)))
161        fmt = "{" + (":{:d}.{:d}f".format(maxdigits,decimals))+"}"
162    else: # larger numbers, remove decimal places
163        decimals = sigfigs - 1 - int(np.log10(np.abs(val)))
164        if decimals <= 0: 
165            fmt = "{" + (":{:d}.0f".format(maxdigits))+"}."
166        else:
167            fmt = "{" + (":{:d}.{:d}f".format(maxdigits,decimals))+"}"
168    try:
169        return fmt.format(float(val)).strip()
170    except ValueError:
171        print ('FormatValue Error with val,maxdigits, sigfigs, fmt=%f %d %d %s'%(val, maxdigits,sigfigs, fmt))
172        return str(val)
173
174if __name__ == '__main__':
175    for i in (1.23456789e-129,1.23456789e129,1.23456789e-99,1.23456789e99,-1.23456789e-99,-1.23456789e99):
176        print (FormatSigFigs(i),i)
177    for i in (1,10,100,1000,10000,100000,1000000,10000000,100000000,1000000000):
178        print (FormatSigFigs(1.23456789e-9*i),1.23456789e-9*i)
179    for i in (1,10,100,1000,10000,100000,1000000,10000000,100000000):
180        print (FormatSigFigs(1.23456789e9/i),1.23456789e9/i)
181
182    print (FormatSigFigs(200,10,3))
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