def __init__(self,
master,
check=0,
molSet=MoleculeSet([]),
userPref='cS',
vf=None,
all=1,
crColor=(0., 1., 0),
clearButton=True,
showButton=True,
sets=None,
**kw):
if not kw.get('packCfg'):
self.packCfg = {'side': 'top', 'anchor': 'w', 'fill': 'x'}
self.sets = sets
#all is a shortcut to use all of default values
if 'all' in kw.keys():
all = 1
elif __debug__:
if check:
apply(checkKeywords, ('stringSelector', self.entryKeywords),
kw)
Tkinter.Frame.__init__(self, master)
##????
Tkinter.Pack.config(self, side='left', anchor='w')
#to make a stringSelector need vf, moleculeSet, selString
self.master = master
self.molSet = molSet
self.residueSelector = ResidueSetSelector()
self.atomSelector = AtomSetSelector()
self.userPref = userPref
self.vf = vf
if not self.vf is None:
self.addGeom(crColor)
else:
self.showCross = None
self.molCts = {}
self.chainCts = {}
# optsDict includes defaults for all possible widgets
# in practice
# user can specify which widgets to put into gui
d = self.optsDict = {}
#first check for menubuttons:
llists = [self.entryKeywords, self.menuKeywords, self.buttonKeywords]
if all:
if not clearButton:
self.buttonKeywords.remove("clearBut")
if not showButton:
self.buttonKeywords.remove("showBut")
for l in llists:
for key in l:
d[key] = 1
else:
for l in llists:
for key in l:
d[key] = kw.get(key)
self.flexChildren = {
'mol': ['molLabel', 'molEntry'],
'chain': ['chainLabel', 'chainEntry'],
'res': ['resLabel', 'resEntry'],
'atom': ['atomLabel', 'atomEntry'],
}
for w in ['molWids', 'chainWids', 'resWids', 'atomWids']:
if kw.get(w):
lab = w[:-4]
s = lab + 'Label'
d[s] = 1
s1 = lab + 'Entry'
d[s1] = 1
# instantiate all Tkinter variables (?)
#DON"T HAVE ANY???
self.buildTkVars()
# only build requested widgets(?)
self.buildifdDict()
# build commandDictionary
self.buildCmdDict()
self.buildGUI()
class ResidueSetSelectorTests(ResidueSetSelectorBaseTests):
def setUp(self):
self.mols = Read('Data/stringSel.pdb')
new_mols = Read("Data/1crn.pdb")
self.mols +=new_mols
self.residues = self.mols.chains.residues
self.stringSel = ResidueSetSelector()
def tearDown(self):
"""
clean-up
"""
del(self.residues)
del(self.mols)
def test_select_with_empty_string(self):
"""
test result with empty string returns all residues
"""
result, msg = self.stringSel.select(self.residues, "")
self.assertEquals(result, self.residues)
def test_select_end(self):
"""
test select with '$' returns last item
"""
result, msg = self.stringSel.select(self.residues, "$")
self.assertEquals(result, self.residues[-1:])
def test_select_with_valid_index(self):
"""
test string with valid_index returns set with 1 item
"""
selString = "1"
result, msg = self.stringSel.select(self.residues, selString)
self.assertEquals(len(result), 1)
def test_select_with_invalid_index_returns_empty_set(self):
"""
test string with invalid_index returns empty set
"""
selString = "777"
result, msg = self.stringSel.select(self.residues, selString)
self.assertEqual(result.__class__, self.residues.__class__)
self.assertEqual(len(result), 0)
self.assertEqual(msg[0], selString)
def test_select_with_valid_range(self):
"""
test string with valid_range returns set with 2 items
"""
selString = "1-2"
result, msg = self.stringSel.select(self.residues, selString)
self.assertEquals(len(result), 2)
def test_select_with_invalid_range(self):
"""
test string with invalid_range returns set with 0 items
"""
selString = "64-71"
result, msg = self.stringSel.select(self.residues, selString)
self.assertEquals(len(result), 0)
def test_select_with_valid_regex(self):
"""
test string with valid_regex returns set with 1 items
<this regex is intended to match anything in range A-Z
followed by anything>
"""
selString = "A*"
result, msg = self.stringSel.select(self.residues, selString)
#print "result=", result
self.assertEquals(len(result), 11)
def test_select_valid_set(self):
"""
test string with valid set name returns 1 set
"""
these_sets = Sets()
new_set = self.residues[:10]
key = 'first_residues'
these_sets.add(key, new_set)
selString = key
result, msg = self.stringSel.select(self.residues, selString,
sets=these_sets)
self.assertEquals(len(result), len(new_set))
self.assertEquals(result, new_set)
def setUp(self):
self.mols = Read('Data/stringSel.pdb')
new_mols = Read("Data/1crn.pdb")
self.mols +=new_mols
self.residues = self.mols.chains.residues
self.stringSel = ResidueSetSelector()
def test_constructor(self):
"""
instantiate an ResidueSetSelector
"""
stringSel = ResidueSetSelector()
self.assertEquals(stringSel.__class__, ResidueSetSelector)
