def __groupby_color(self):
'''Groups a given series of plotdata by color'''
colored = mapping.OrderedDefaultdict(list)
for plot in self.plotdata:
colored[plot.color].append(plot.y)
return colored
def __cluster_plots(self, clusters=3):
'''Clusters plotdata'''
clustered = mapping.OrderedDefaultdict(list)
for color, ydata in self.__groupby_color().items():
for index in range(clusters):
items = ydata[index::clusters]
if items:
clustered[color].append(np.max(items, axis=0))
return clustered
def get_clipboard(self, clipboard_text, delimiter='\t'):
'''
Grab clipboard and process dimensions.
get_clipboard()->[['A', 'B'], ['C', 'D'], ['E', 'F']] # (2x3)
'''
lines = clipboard_text.splitlines()
values = mapping.OrderedDefaultdict(list)
for line in lines:
for index, value in enumerate(line.split(delimiter)):
values[index].append(value)
return values
def organize_basemods(self):
'''Returns a dictionary with {res: (name, mass)}'''
names = self.mods['Mod Name']
formulas = self.mods['Formula']
react = self.mods['Reactivity']
basemods = mapping.OrderedDefaultdict(list)
for index, name in enumerate(names):
res = react[index]
formula = formulas[index]
basemods[res].append((name, formula))
return basemods
def get_fragment_masses(self):
'''Returns a dictionary with crosslink fragment {name: mass}'''
fragments = self.xler['fragments']
names = fragments['name']
formula = fragments['formula']
react = fragments['reactivity']
masses = mapping.OrderedDefaultdict(list)
for index, name in enumerate(names):
mass = round(chemical.Molecule(formula[index]), self.precision)
masses[(mass, react[index])].append(name)
return masses
def _get_values(self, selected_indexes):
'''
Grab QTable cell values from the corresponding indexes
Args:
selected_indexes (list): objects with row/column variables
Returns (dict): dict with {row: [values]}
'''
values = mapping.OrderedDefaultdict(list)
for index in selected_indexes:
value = self.table.model().list[index.column][index.row]
#value = self.table.model().get_value(index.row, index.column)
if value is not None:
values[index.row].append(value)
return values