Add LooseVersion compatibility
The distutils LooseVersion class is replaced by the looseversion package
This commit is contained in:
Sylvain Tricot
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c2e1384a5c
commit
fff3a01648
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@ -17,7 +17,7 @@
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# along with this msspec. If not, see <http://www.gnu.org/licenses/>.
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#
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# Source file : src/msspec/iodata.py
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# Last modified: Wed, 18 Jun 2025 11:46:41 +0200
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# Last modified: Wed, 18 Jun 2025 13:30:09 +0200
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# Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr>
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@ -70,8 +70,7 @@ Here is an example of how to store values in a Data object:
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import os
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import sys
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from distutils.version import LooseVersion
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from distutils.version import StrictVersion
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from looseversion import LooseVersion
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from io import StringIO
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from datetime import datetime
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@ -80,9 +79,7 @@ from ase.io.extxyz import read_xyz, write_xyz
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import h5py
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import numpy as np
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from lxml import etree
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#from matplotlib.backends.backend_wxagg import FigureCanvasWx as FigureCanvas
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from matplotlib.backends.backend_agg import FigureCanvasAgg
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#from matplotlib.backends.backend_cairo import FigureCanvasCairo as FigureCanvasAgg
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from matplotlib.figure import Figure
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from matplotlib import pyplot as plt
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from terminaltables import AsciiTable
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@ -513,9 +510,7 @@ class DataSet(object):
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if isinstance(value, t):
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fmt = f
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break
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#fd.write(' ')
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fd.write(fmt.format(value))
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#fd.write(str(value) + ', ')
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fd.write('\n')
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def __getitem__(self, itemspec):
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@ -560,7 +555,6 @@ class DataSet(object):
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def __len__(self):
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try:
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#length = len(self._col_arrays[0])
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length = 0
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for array in self._col_arrays:
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length = max(length, len(array))
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@ -953,7 +947,6 @@ class _DataSetView(object):
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axes.set_yticklabels(theta_ticks)
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cbar = figure.colorbar(im)
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#im.set_clim(0, 0.0275)
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elif proj == 'polar':
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values[0] = np.radians(values[0])
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@ -1003,7 +996,6 @@ class _DataSetView(object):
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root = etree.Element('view', name=self.title)
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for key, value in list(plotopts.items()):
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root.attrib[key] = str(value)
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#root.attrib['dataset_name'] = self.dataset.title
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for tags, cond, legend in zip(self._selection_tags,
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self._selection_conditions,
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@ -1021,21 +1013,12 @@ class _DataSetView(object):
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def from_xml(self, xmlstr):
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root = etree.fromstring(xmlstr)
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self.title = root.attrib['name']
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#self._plotopts['title'] = root.attrib['title']
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#self._plotopts['xlabel'] = root.attrib['xlabel']
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# self._plotopts['ylabel'] = root.attrib['ylabel']
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# self._plotopts['grid'] = bool(root.attrib['grid'])
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# self._plotopts['colorbar'] = bool(root.attrib['colorbar'])
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# self._plotopts['projection'] = root.attrib['projection']
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# self._plotopts['marker'] = root.attrib['marker']
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for key in list(self._plotopts.keys()):
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try:
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self._plotopts[key] = eval(root.attrib.get(key))
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except:
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self._plotopts[key] = root.attrib.get(key)
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legends = []
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conditions = []
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tags = []
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@ -1095,8 +1078,6 @@ if has_gui:
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if is_hidden == "True":
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continue
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group = datatree.get(p['group'], [])
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#strval = str(p['value'] * p['unit'] if p['unit'] else p['value'])
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#group.append("{:s} = {:s}".format(p['name'], strval))
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group.append("{} = {} {}".format(p['name'], p['value'], p['unit']))
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datatree[p['group']] = group
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@ -1138,7 +1119,6 @@ if has_gui:
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# Add the notebook to hold all graphs
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self.notebooks = {}
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sizer = wx.BoxSizer(wx.VERTICAL)
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#sizer.Add(self.notebook)
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self.SetSizer(sizer)
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self.Bind(wx.EVT_NOTEBOOK_PAGE_CHANGED, self.on_page_changed)
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@ -1155,7 +1135,6 @@ if has_gui:
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for dset in self.data:
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nb = wx.Notebook(self, -1)
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self.notebooks[dset.title] = nb
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#self.GetSizer().Add(nb, 1, wx.ALL|wx.EXPAND)
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self.GetSizer().Add(nb, proportion=1, flag=wx.ALL|wx.EXPAND)
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for view in dset.get_views():
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self.create_page(nb, view)
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@ -1291,13 +1270,6 @@ if has_gui:
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cluster_viewer = ClusterViewer(win, size=wx.Size(480, 340))
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dset = self.data[self._current_dset]
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#s = StringIO()
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#s.write(dset.get_parameter(group='Cluster', name='cluster')['value'])
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#_s = dset.get_parameter(group='Cluster', name='cluster')['value']
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#print(_s)
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# rewind to the begining of the string
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#s.seek(0)
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#atoms = ase.io.read(s, format='xyz')
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atoms = dset.get_cluster()
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cluster_viewer.set_atoms(atoms, rescale=True, center=True)
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cluster_viewer.rotate_atoms(0., 180.)
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@ -1405,41 +1377,7 @@ if has_gui:
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if __name__ == "__main__":
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if False:
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data = Data('all my data')
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dset = data.add_dset('Dataset 0')
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X = np.arange(0, 20)
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Y = X**2
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dset.add_columns(x=X, y=Y, z=X+2, w=Y**3)
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dset.add_parameter(name='truc', group='main', value='3.14', unit='eV')
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dset.add_parameter(name='machin', group='main', value='abc', unit='')
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# Z = [0,1]
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#
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# for z in Z:
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# for x, y in zip(X, Y):
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# dset.add_row(x=x, y=y, z=z, random=np.random.rand())
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#
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#
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view = dset.add_view('my view', autoscale=True)
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view.select('x', 'y', where="z<10", legend=r"z = 0")
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view.select('x', 'y', where="z>10", legend=r"z = 1")
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print(dset.get_parameter(group='main'))
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constraint = lambda a, b: (a > 10 and a < 15) and b > 0
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indices = list(map(constraint, dset.x, dset.w))
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print(dset.y[indices])
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#data.view()
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import sys
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data = Data.load(sys.argv[1])
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data.view()
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@ -1,6 +1,7 @@
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ase
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h5py
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ipython
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looseversion
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lxml
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matplotlib
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numpy
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