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Make bandit a mandatory test and fix some typos

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This commit is contained in:
Christian Clauss 2021-10-30 02:11:52 +02:00
parent 370aaf701c
commit 4a7fa658bb
22 changed files with 69 additions and 69 deletions
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20
contrib/python/Gnuplot.py
View file

@ -56,9 +56,9 @@ Features:
Builtin PlotItem types:
* 'Data(array1)' -- data from a Python list or NumPy array
(permits additional option 'cols' )
(permits additional option 'cols')
* 'File("filename")' -- data from an existing data file (permits
additional option 'using' )
additional option 'using')
* 'Func("exp(4.0 * sin(x))")' -- functions (passed as a string
for gnuplot to evaluate)
* 'GridData(m, x, y)' -- data tabulated on a grid of (x,y) values
@ -245,7 +245,7 @@ class Func(PlotItem):
gnuplot> plot sin(x)
The argument to the contructor is a string which is a expression.
The argument to the constructor is a string which is a expression.
Example:
g.plot(Func("sin(x)", with_="line 3"))
@ -302,10 +302,10 @@ def write_array(f, set,
A general recursive array writer. The last four parameters allow a
great deal of freedom in choosing the output format of the
array. The defaults for those parameters give output that is
gnuplot-readable. But using, for example, ( ',', '{', '}', ',\\n'
) would output an array in a format that Mathematica could
read. item_sep should not contain '%' (or if it does, it should be
escaped to '%%' ) since item_sep is put into a format string.
gnuplot-readable. But using, for example, ( ',', '{', '}', ',\\n')
would output an array in a format that Mathematica could read.
item_sep should not contain '%' (or if it does, it should be
escaped to '%%') since item_sep is put into a format string.
"""
@ -398,7 +398,7 @@ class File(PlotItem):
'<file>' can be either a string holding the filename of an
existing file, or it can be an object of a class derived from
'AnyFile' (such as a 'TempArrayFile'). Keyword arguments
recognized (in addition to those recognized by 'PlotItem' ):
recognized (in addition to those recognized by 'PlotItem'):
'using=<n>' -- plot that column against line number
'using=<tuple>' -- plot using a:b:c:d etc.
@ -611,7 +611,7 @@ class Gnuplot:
options; a string, which is plotted as a Func; or
anything else, which is plotted as a Data.
'hardcopy' -- replot the plot to a postscript file (if filename
argument is specified) or pipe it to lpr othewise.
argument is specified) or pipe it to lpr otherwise.
If the option `color' is set to true, then output
color postscript.
'replot' -- replot the old items, adding any arguments as
@ -769,7 +769,7 @@ class Gnuplot:
'splot(item, ...)' -- Clear the current plot and create a new
3-d plot containing the specified items. Arguments can
be of the following types:
'PlotItem' (e.g., 'Data', 'File', 'Func', 'GridData' ) -- This
'PlotItem' (e.g., 'Data', 'File', 'Func', 'GridData') -- This
is the most flexible way to call plot because the
PlotItems can contain suboptions. Moreover, PlotItems
can be saved to variables so that their lifetime is

4
contrib/python/dplot.py
View file

@ -3,7 +3,7 @@ import array
'''
A simple class and helper functions to read and compute with a
Guassian cube file as produced by NWChem with the DPLOT module.
Gaussian cube file as produced by NWChem with the DPLOT module.
It can read the file (or tabulate any function) and then compute the
value at an arbitrary interior point using tri-linear interpolation.
@ -116,7 +116,7 @@ def read_i_f_f_f(f):
return int(line[0]), float(line[1]), float(line[2]), float(line[3])
def read_atom(f):
''' Read line from Guassian cube file containing atomic info '''
''' Read line from Gaussian cube file containing atomic info '''
line = f.readline().lstrip().rstrip().split()
return int(line[0]), (float(line[2]), float(line[3]), float(line[4]))

2
contrib/python/mathutil.py
View file

@ -94,7 +94,7 @@ def numderiv(func,x,step,eps):
Some care is taken to adjust the step so that the gradient and
Hessian diagonal are estimated with about 4 digits of precision
but some noise is unavaoidable due either to the noise in the
but some noise is unavoidable due either to the noise in the
function or cubic/higher terms in the Taylor expansion.
'''

2
contrib/python/nwgeom.py
View file

@ -57,7 +57,7 @@ def geom_set_coords(name,coords):
def bond_length(i,j): # atoms numbered 1,2,...
#
# Return the distance betwen atoms i and j in user
# Return the distance between atoms i and j in user
# units in the default geometry
#
coords = geom_get_coords('geometry')

24
contrib/python/office.py
View file

@ -10,7 +10,7 @@ from string import uppercase
class Excel:
'''
Wrapper for MS Excel derived from that in Python Programing on Win32
Wrapper for MS Excel derived from that in Python Programming on Win32
'''
def __init__(self,filename=None):
'''
@ -125,7 +125,7 @@ class Excel:
Optionally, you specify only the top-left corner of range in
row1, cell1 and specify row2<=0 - the other coordinate is figured
out from the dimension of the data. This can always be overriden by
out from the dimension of the data. This can always be overridden by
specifying the full range coordinates.
If no coordinates are given, the data is put into the top left
@ -146,7 +146,7 @@ class Excel:
def getContiguousRange(self, row1, col1, sheet=1):
'''
Returns data in the range which forms a continguous
Returns data in the range which forms a contiguous
block with top-left corner in cell (row1,col1).
Starting from the specified cell, scan down/across
@ -208,14 +208,14 @@ class Excel:
charttype = 'xy' ... XY scatter plot with lines and points.
. First series is X. Others are y1, y2, etc.
. = 'surface' ... Surfce plot of a scalar function of
. = 'surface' ... Surface plot of a scalar function of
. two variables. Data should be a grid of the function.
. = 'contour' or 'colorcontour' ... Contour plot of a scalar
. function of two variables. Data should be a grid of
. values.
xmin and xmax = min/max values of the x or category axis
. It defaults to autoscale by Excel. This only applies to
. XY plots (since the surfce/contor plots do not use
. XY plots (since the surface/contor plots do not use
. values for the category axes ... they use string labels)
ymin and ymax = min/max values of the y or value axis
. It defaults to auto by Excel. Applies to all charts.
@ -239,7 +239,7 @@ class Excel:
try:
charttype = charttypes[charttype]
except KeyError:
print('Excel.chartSelectedRange: Unkown charttype', charttype, ' defaulting to XY')
print('Excel.chartSelectedRange: Unknown charttype', charttype, ' defaulting to XY')
charttype = charttypes['xy']
# Make the chart and set how the data will be interpreted
@ -307,21 +307,21 @@ class Excel:
def a1(self, row, col, absrow=0, abscol=0):
'''
Return a string that may be used to adress the cell in
a formula. The row and/or column adress may be made absolute
Return a string that may be used to address the cell in
a formula. The row and/or column address may be made absolute
by setting absrow/col to true values.
Internally we are adressing cells in the spreadsheet using
Internally we are addressing cells in the spreadsheet using
integers (row,col), which is what Excel calls R1C1 style
references. But, unless the user has turned-on R1C1 style
adressing (unlikely!) this will not work in formulae
so we must translate to the usual adressing style, called A1,
addressing (unlikely!) this will not work in formulae
so we must translate to the usual addressing style, called A1,
which uses letters for the columns and numbers for the rows,
writing the column index first.
E.g., A1 = R1C1 = (1,1), and B3 = R3C2 = (3,2).
Absolute adresses are preceded with a $ symbol.
Absolute addresses are preceded with a $ symbol.
'''
ar = ac = ''
if absrow: ar = '$'