def test():
# Check that we can access element properties
assert H.name == "hydrogen"
assert H.symbol == "H"
assert H.number == 1
assert helium.symbol == 'He'
# Check that isotopes work and produce the correct strings and symbols
O.add_isotope(18)
assert H[2].symbol == 'D'
assert H[3].symbol == 'T'
assert O[18].symbol == 'O'
assert str(H[2]) == 'D'
assert str(H[3]) == 'T'
assert str(O[18]) == '18-O'
try:
Fe[12]
except KeyError as msg:
assert msg.args[0] == '12 is not an isotope of Fe'
# Check that "for el in elements" works and for iso in el works
els = tuple(el for el in elements)
assert els[0].number == 0
assert els[1].number == 1
isotopes = tuple(iso for iso in O)
assert isotopes[0].isotope == 12 # 12 is the first oxygen isotope listed
# Check that table lookup works and fails appropriately
Fe.add_isotope(56)
assert elements.symbol('Fe') == Fe
assert elements.name('iron') == Fe
assert elements.isotope('Fe') == Fe
assert elements.isotope('56-Fe') == Fe[56]
assert elements.isotope('D') == H[2]
try:
elements.symbol('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.name('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('4-D')
except ValueError as msg:
assert str(msg) == "unknown element 4-D"
# Check that ions work
assert Fe.ion[2].charge == 2
assert Fe.ions == (-4, -2, -1, 1, 2, 3, 4, 5, 6, 7)
assert str(Fe.ion[2]) == "Fe{2+}"
assert str(O.ion[-2]) == "O{2-}"
try:
Fe.ion[-3]
raise Exception("accepts invalid ions")
except ValueError as msg:
assert str(msg) == "-3 is not a valid charge for Fe"
assert data_files()[0][0] == "periodictable-data/xsf"
import refl1d
import bumps
import periodictable
NAME = 'Refl1D'
# Until we figure out why packages=... doesn't work reliably,
# use py2app_main with explicit imports of everything we
# might need.
#SCRIPT = 'py2app_main.py'
SCRIPT = 'bin/refl1d_gui.py'
VERSION = refl1d.__version__
ICON = 'extra/refl1d.icns'
ID = 'Refl1D'
COPYRIGHT = 'This program is public domain'
DATA_FILES = bumps.data_files() + periodictable.data_files()
plist = dict(
CFBundleIconFile = ICON,
CFBundleName = NAME,
CFBundleShortVersionString = ' '.join([NAME, VERSION]),
CFBundleGetInfoString = NAME,
CFBundleExecutable = NAME,
CFBundleIdentifier = 'gov.nist.ncnr.%s' % ID,
NSHumanReadableCopyright = COPYRIGHT
)
app_data = dict(script=SCRIPT, plist=plist)
py2app_opt = dict(argv_emulation=True,
packages=packages,
# Add resource files that need to reside in the same directory as the image.
data_files.append( ('.', [os.path.join(here, 'LICENSE.txt')]) )
data_files.append( ('.', [os.path.join(here, 'README.rst')]) )
data_files.append( ('.', [os.path.join(here, 'bin', 'refl1d_launch.bat')]) )
data_files.append( ('.', [os.path.join(here, 'extra', 'refl1d.ico')]) )
# Add application specific data files from the refl1d\refl1d-data folder.
data_files += bumps.data_files()
# Add data files from the matplotlib\mpl-data folder and its subfolders.
# For matploblib prior to version 0.99 see the examples at the end of the file.
data_files += matplotlib.get_py2exe_datafiles()
# Add data files from the periodictable\xsf folder.
data_files += periodictable.data_files()
# Add example directories and their files. An empty directory is ignored.
# Note that Inno Setup will determine where these files will be placed such as
# C:\My Documents\... instead of the installation folder.
for path in glob.glob(os.path.join('examples', '*')):
if os.path.isdir(path):
for file in glob.glob(os.path.join(path, '*.*')):
data_files.append( (path, [file]) )
else:
data_files.append( ('examples', [path]) )
for path in glob.glob(os.path.join('doc', 'examples', '*')):
if os.path.isdir(path):
for file in glob.glob(os.path.join(path, '*.*')):
data_files.append( (path, [file]) )
test_upcoming_dir = os.path.join(path, "test\\upcoming_formats")
matplotlibdatadir = matplotlib.get_data_path()
matplotlibdata = findall(matplotlibdatadir)
site_loc = get_python_lib()
opencl_include_dir = os.path.join(site_loc, "pyopencl", "cl")
data_files = []
if tinycc:
data_files += tinycc.data_files()
# Copying SLD data
import periodictable
data_files += periodictable.data_files()
import sas.sasgui.perspectives.fitting as fitting
data_files += fitting.data_files()
import sas.sasgui.perspectives.calculator as calculator
data_files += calculator.data_files()
import sas.sasgui.perspectives.invariant as invariant
data_files += invariant.data_files()
import sas.sasgui.guiframe as guiframe
data_files += guiframe.data_files()
# precompile sas models into the sasview build path; doesn't matter too much
# where it is so long as it is a place that will get cleaned up afterwards.
elements.symbol('Qu')
except ValueError,msg:
assert str(msg) == "unknown element Qu"
try:
elements.name('Qu')
except ValueError,msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('Qu')
except ValueError,msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('4-D')
except ValueError,msg:
assert str(msg) == "unknown element 4-D"
# Check that ions work
assert Fe.ion[2].charge==2
assert Fe.ions == (2,3)
assert str(Fe.ion[2]) == "Fe^{2+}"
assert str(O.ion[-2]) == "O^{2-}"
try:
Fe.ion[1]
raise Exception("accepts invalid ions")
except ValueError,msg:
assert str(msg) == "1 is not a valid charge for Fe"
assert data_files()[0][0] == "periodictable-data/xsf"
if __name__ == "__main__": test()
# Adapted from http://www.py2exe.org/index.cgi/MatPlotLib
# to use the MatPlotLib.
#
path = os.getcwd()
matplotlibdatadir = matplotlib.get_data_path()
matplotlibdata = findall(matplotlibdatadir)
DATA_FILES = []
if tinycc:
DATA_FILES += tinycc.data_files()
# Copying SLD data
import periodictable
DATA_FILES += periodictable.data_files()
from sas.sasgui.perspectives import fitting
DATA_FILES += fitting.data_files()
from sas.sasgui.perspectives import calculator
DATA_FILES += calculator.data_files()
from sas.sasgui.perspectives import invariant
DATA_FILES += invariant.data_files()
from sas.sasgui import guiframe
DATA_FILES += guiframe.data_files()
# precompile sas models into the sasview build path; doesn't matter too much
# where it is so long as it is a place that will get cleaned up afterwards.
import refl1d
import bumps
import periodictable
NAME = 'Refl1D'
# Until we figure out why packages=... doesn't work reliably,
# use py2app_main with explicit imports of everything we
# might need.
#SCRIPT = 'py2app_main.py'
SCRIPT = 'bin/refl1d_gui.py'
VERSION = refl1d.__version__
ICON = 'extra/refl1d.icns'
ID = 'Refl1D'
COPYRIGHT = 'This program is public domain'
DATA_FILES = bumps.data_files() + periodictable.data_files()
plist = dict(CFBundleIconFile=ICON,
CFBundleName=NAME,
CFBundleShortVersionString=' '.join([NAME, VERSION]),
CFBundleGetInfoString=NAME,
CFBundleExecutable=NAME,
CFBundleIdentifier='gov.nist.ncnr.%s' % ID,
NSHumanReadableCopyright=COPYRIGHT)
app_data = dict(script=SCRIPT, plist=plist)
py2app_opt = dict(argv_emulation=True,
packages=packages,
includes=includes,
excludes=excludes,
iconfile=ICON,
def test():
# Check that we can access element properties
assert H.name == "hydrogen"
assert H.symbol == "H"
assert H.number == 1
assert helium.symbol == 'He'
# Check that isotopes work and produce the correct strings and symbols
O.add_isotope(18)
assert H[2].symbol == 'D'
assert H[3].symbol == 'T'
assert O[18].symbol == 'O'
assert str(H[2]) == 'D'
assert str(H[3]) == 'T'
assert str(O[18]) == '18-O'
try:
Fe[12]
except KeyError as msg:
assert msg.args[0] == '12 is not an isotope of Fe'
# Check that "for el in elements" works and for iso in el works
els = tuple(el for el in elements)
assert els[0].number == 0
assert els[1].number == 1
isotopes = tuple(iso for iso in O)
assert isotopes[0].isotope == 12 # 12 is the first oxygen isotope listed
# Check that table lookup works and fails appropriately
Fe.add_isotope(56)
assert elements.symbol('Fe') == Fe
assert elements.name('iron') == Fe
assert elements.isotope('Fe') == Fe
assert elements.isotope('56-Fe') == Fe[56]
assert elements.isotope('D') == H[2]
try:
elements.symbol('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.name('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('4-D')
except ValueError as msg:
assert str(msg) == "unknown element 4-D"
# Check that ions work
assert Fe.ion[2].charge == 2
assert Fe.ions == (2, 3)
assert str(Fe.ion[2]) == "Fe{2+}"
assert str(O.ion[-2]) == "O{2-}"
try:
Fe.ion[1]
raise Exception("accepts invalid ions")
except ValueError as msg:
assert str(msg) == "1 is not a valid charge for Fe"
assert data_files()[0][0] == "periodictable-data/xsf"
