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authorPicca Frédéric-Emmanuel <picca@synchrotron-soleil.fr>2017-08-18 14:48:52 +0200
committerPicca Frédéric-Emmanuel <picca@synchrotron-soleil.fr>2017-08-18 14:48:52 +0200
commitf7bdc2acff3c13a6d632c28c4569690ab106eed7 (patch)
tree9d67cdb7152ee4e711379e03fe0546c7c3b97303 /silx/gui/fit/Parameters.py
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+# coding: utf-8
+# /*##########################################################################
+# Copyright (C) 2004-2017 European Synchrotron Radiation Facility
+#
+# Permission is hereby granted, free of charge, to any person obtaining a copy
+# of this software and associated documentation files (the "Software"), to deal
+# in the Software without restriction, including without limitation the rights
+# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+# copies of the Software, and to permit persons to whom the Software is
+# furnished to do so, subject to the following conditions:
+#
+# The above copyright notice and this permission notice shall be included in
+# all copies or substantial portions of the Software.
+#
+# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+# THE SOFTWARE.
+#
+# ######################################################################### */
+"""This module defines a table widget that is specialized in displaying fit
+parameter results and associated constraints."""
+__authors__ = ["V.A. Sole", "P. Knobel"]
+__license__ = "MIT"
+__date__ = "25/11/2016"
+
+import sys
+from collections import OrderedDict
+
+from silx.gui import qt
+from silx.gui.widgets.TableWidget import TableWidget
+
+
+def float_else_zero(sstring):
+ """Return converted string to float. If conversion fail, return zero.
+
+ :param sstring: String to be converted
+ :return: ``float(sstrinq)`` if ``sstring`` can be converted to float
+ (e.g. ``"3.14"``), else ``0``
+ """
+ try:
+ return float(sstring)
+ except ValueError:
+ return 0
+
+
+class QComboTableItem(qt.QComboBox):
+ """:class:`qt.QComboBox` augmented with a ``sigCellChanged`` signal
+ to emit a tuple of ``(row, column)`` coordinates when the value is
+ changed.
+
+ This signal can be used to locate the modified combo box in a table.
+
+ :param row: Row number of the table cell containing this widget
+ :param col: Column number of the table cell containing this widget"""
+ sigCellChanged = qt.Signal(int, int)
+ """Signal emitted when this ``QComboBox`` is activated.
+ A ``(row, column)`` tuple is passed."""
+
+ def __init__(self, parent=None, row=None, col=None):
+ self._row = row
+ self._col = col
+ qt.QComboBox.__init__(self, parent)
+ self.activated[int].connect(self._cellChanged)
+
+ def _cellChanged(self, idx): # noqa
+ self.sigCellChanged.emit(self._row, self._col)
+
+
+class QCheckBoxItem(qt.QCheckBox):
+ """:class:`qt.QCheckBox` augmented with a ``sigCellChanged`` signal
+ to emit a tuple of ``(row, column)`` coordinates when the check box has
+ been clicked on.
+
+ This signal can be used to locate the modified check box in a table.
+
+ :param row: Row number of the table cell containing this widget
+ :param col: Column number of the table cell containing this widget"""
+ sigCellChanged = qt.Signal(int, int)
+ """Signal emitted when this ``QCheckBox`` is clicked.
+ A ``(row, column)`` tuple is passed."""
+
+ def __init__(self, parent=None, row=None, col=None):
+ self._row = row
+ self._col = col
+ qt.QCheckBox.__init__(self, parent)
+ self.clicked.connect(self._cellChanged)
+
+ def _cellChanged(self):
+ self.sigCellChanged.emit(self._row, self._col)
+
+
+class Parameters(TableWidget):
+ """:class:`TableWidget` customized to display fit results
+ and to interact with :class:`FitManager` objects.
+
+ Data and references to cell widgets are kept in a dictionary
+ attribute :attr:`parameters`.
+
+ :param parent: Parent widget
+ :param labels: Column headers. If ``None``, default headers will be used.
+ :type labels: List of strings or None
+ :param paramlist: List of fit parameters to be displayed for each fitted
+ peak.
+ :type paramlist: list[str] or None
+ """
+ def __init__(self, parent=None, paramlist=None):
+ TableWidget.__init__(self, parent)
+ self.setContentsMargins(0, 0, 0, 0)
+
+ labels = ['Parameter', 'Estimation', 'Fit Value', 'Sigma',
+ 'Constraints', 'Min/Parame', 'Max/Factor/Delta']
+ tooltips = ["Fit parameter name",
+ "Estimated value for fit parameter. You can edit this column.",
+ "Actual value for parameter, after fit",
+ "Uncertainty (same unit as the parameter)",
+ "Constraint to be applied to the parameter for fit",
+ "First parameter for constraint (name of another param or min value)",
+ "Second parameter for constraint (max value, or factor/delta)"]
+
+ self.columnKeys = ['name', 'estimation', 'fitresult',
+ 'sigma', 'code', 'val1', 'val2']
+ """This list assigns shorter keys to refer to columns than the
+ displayed labels."""
+
+ self.__configuring = False
+
+ # column headers and associated tooltips
+ self.setColumnCount(len(labels))
+
+ for i, label in enumerate(labels):
+ item = self.horizontalHeaderItem(i)
+ if item is None:
+ item = qt.QTableWidgetItem(label,
+ qt.QTableWidgetItem.Type)
+ self.setHorizontalHeaderItem(i, item)
+
+ item.setText(label)
+ if tooltips is not None:
+ item.setToolTip(tooltips[i])
+
+ # resize columns
+ for col_key in ["name", "estimation", "sigma", "val1", "val2"]:
+ col_idx = self.columnIndexByField(col_key)
+ self.resizeColumnToContents(col_idx)
+
+ # Initialize the table with one line per supplied parameter
+ paramlist = paramlist if paramlist is not None else []
+ self.parameters = OrderedDict()
+ """This attribute stores all the data in an ordered dictionary.
+ New data can be added using :meth:`newParameterLine`.
+ Existing data can be modified using :meth:`configureLine`
+
+ Keys of the dictionary are:
+
+ - 'name': parameter name
+ - 'line': line index for the parameter in the table
+ - 'estimation'
+ - 'fitresult'
+ - 'sigma'
+ - 'code': constraint code (one of the elements of
+ :attr:`code_options`)
+ - 'val1': first parameter related to constraint, formatted
+ as a string, as typed in the table
+ - 'val2': second parameter related to constraint, formatted
+ as a string, as typed in the table
+ - 'cons1': scalar representation of 'val1'
+ (e.g. when val1 is the name of a fit parameter, cons1
+ will be the line index of this parameter)
+ - 'cons2': scalar representation of 'val2'
+ - 'vmin': equal to 'val1' when 'code' is "QUOTED"
+ - 'vmax': equal to 'val2' when 'code' is "QUOTED"
+ - 'relatedto': name of related parameter when this parameter
+ is constrained to another parameter (same as 'val1')
+ - 'factor': same as 'val2' when 'code' is 'FACTOR'
+ - 'delta': same as 'val2' when 'code' is 'DELTA'
+ - 'sum': same as 'val2' when 'code' is 'SUM'
+ - 'group': group index for the parameter
+ - 'xmin': data range minimum
+ - 'xmax': data range maximum
+ """
+ for line, param in enumerate(paramlist):
+ self.newParameterLine(param, line)
+
+ self.code_options = ["FREE", "POSITIVE", "QUOTED", "FIXED",
+ "FACTOR", "DELTA", "SUM", "IGNORE", "ADD"]
+ """Possible values in the combo boxes in the 'Constraints' column.
+ """
+
+ # connect signal
+ self.cellChanged[int, int].connect(self.onCellChanged)
+
+ def newParameterLine(self, param, line):
+ """Add a line to the :class:`QTableWidget`.
+
+ Each line represents one of the fit parameters for one of
+ the fitted peaks.
+
+ :param param: Name of the fit parameter
+ :type param: str
+ :param line: 0-based line index
+ :type line: int
+ """
+ # get current number of lines
+ nlines = self.rowCount()
+ self.__configuring = True
+ if line >= nlines:
+ self.setRowCount(line + 1)
+
+ # default configuration for fit parameters
+ self.parameters[param] = OrderedDict((('line', line),
+ ('estimation', '0'),
+ ('fitresult', ''),
+ ('sigma', ''),
+ ('code', 'FREE'),
+ ('val1', ''),
+ ('val2', ''),
+ ('cons1', 0),
+ ('cons2', 0),
+ ('vmin', '0'),
+ ('vmax', '1'),
+ ('relatedto', ''),
+ ('factor', '1.0'),
+ ('delta', '0.0'),
+ ('sum', '0.0'),
+ ('group', ''),
+ ('name', param),
+ ('xmin', None),
+ ('xmax', None)))
+ self.setReadWrite(param, 'estimation')
+ self.setReadOnly(param, ['name', 'fitresult', 'sigma', 'val1', 'val2'])
+
+ # Constraint codes
+ a = []
+ for option in self.code_options:
+ a.append(option)
+
+ code_column_index = self.columnIndexByField('code')
+ cellWidget = self.cellWidget(line, code_column_index)
+ if cellWidget is None:
+ cellWidget = QComboTableItem(self, row=line,
+ col=code_column_index)
+ cellWidget.addItems(a)
+ self.setCellWidget(line, code_column_index, cellWidget)
+ cellWidget.sigCellChanged[int, int].connect(self.onCellChanged)
+ self.parameters[param]['code_item'] = cellWidget
+ self.parameters[param]['relatedto_item'] = None
+ self.__configuring = False
+
+ def columnIndexByField(self, field):
+ """
+
+ :param field: Field name (column key)
+ :return: Index of the column with this field name
+ """
+ return self.columnKeys.index(field)
+
+ def fillFromFit(self, fitresults):
+ """Fill table with values from a list of dictionaries
+ (see :attr:`silx.math.fit.fitmanager.FitManager.fit_results`)
+
+ :param fitresults: List of parameters as recorded
+ in the ``paramlist`` attribute of a :class:`FitManager` object
+ :type fitresults: list[dict]
+ """
+ self.setRowCount(len(fitresults))
+
+ # Reinitialize and fill self.parameters
+ self.parameters = OrderedDict()
+ for (line, param) in enumerate(fitresults):
+ self.newParameterLine(param['name'], line)
+
+ for param in fitresults:
+ name = param['name']
+ code = str(param['code'])
+ if code not in self.code_options:
+ # convert code from int to descriptive string
+ code = self.code_options[int(code)]
+ val1 = param['cons1']
+ val2 = param['cons2']
+ estimation = param['estimation']
+ group = param['group']
+ sigma = param['sigma']
+ fitresult = param['fitresult']
+
+ xmin = param.get('xmin')
+ xmax = param.get('xmax')
+
+ self.configureLine(name=name,
+ code=code,
+ val1=val1, val2=val2,
+ estimation=estimation,
+ fitresult=fitresult,
+ sigma=sigma,
+ group=group,
+ xmin=xmin, xmax=xmax)
+
+ def getConfiguration(self):
+ """Return ``FitManager.paramlist`` dictionary
+ encapsulated in another dictionary"""
+ return {'parameters': self.getFitResults()}
+
+ def setConfiguration(self, ddict):
+ """Fill table with values from a ``FitManager.paramlist`` dictionary
+ encapsulated in another dictionary"""
+ self.fillFromFit(ddict['parameters'])
+
+ def getFitResults(self):
+ """Return fit parameters as a list of dictionaries in the format used
+ by :class:`FitManager` (attribute ``paramlist``).
+ """
+ fitparameterslist = []
+ for param in self.parameters:
+ fitparam = {}
+ name = param
+ estimation, [code, cons1, cons2] = self.getEstimationConstraints(name)
+ buf = str(self.parameters[param]['fitresult'])
+ xmin = self.parameters[param]['xmin']
+ xmax = self.parameters[param]['xmax']
+ if len(buf):
+ fitresult = float(buf)
+ else:
+ fitresult = 0.0
+ buf = str(self.parameters[param]['sigma'])
+ if len(buf):
+ sigma = float(buf)
+ else:
+ sigma = 0.0
+ buf = str(self.parameters[param]['group'])
+ if len(buf):
+ group = float(buf)
+ else:
+ group = 0
+ fitparam['name'] = name
+ fitparam['estimation'] = estimation
+ fitparam['fitresult'] = fitresult
+ fitparam['sigma'] = sigma
+ fitparam['group'] = group
+ fitparam['code'] = code
+ fitparam['cons1'] = cons1
+ fitparam['cons2'] = cons2
+ fitparam['xmin'] = xmin
+ fitparam['xmax'] = xmax
+ fitparameterslist.append(fitparam)
+ return fitparameterslist
+
+ def onCellChanged(self, row, col):
+ """Slot called when ``cellChanged`` signal is emitted.
+ Checks the validity of the new text in the cell, then calls
+ :meth:`configureLine` to update the internal ``self.parameters``
+ dictionary.
+
+ :param row: Row number of the changed cell (0-based index)
+ :param col: Column number of the changed cell (0-based index)
+ """
+ if (col != self.columnIndexByField("code")) and (col != -1):
+ if row != self.currentRow():
+ return
+ if col != self.currentColumn():
+ return
+ if self.__configuring:
+ return
+ param = list(self.parameters)[row]
+ field = self.columnKeys[col]
+ oldvalue = self.parameters[param][field]
+ if col != 4:
+ item = self.item(row, col)
+ if item is not None:
+ newvalue = item.text()
+ else:
+ newvalue = ''
+ else:
+ # this is the combobox
+ widget = self.cellWidget(row, col)
+ newvalue = widget.currentText()
+ if self.validate(param, field, oldvalue, newvalue):
+ paramdict = {"name": param, field: newvalue}
+ self.configureLine(**paramdict)
+ else:
+ if field == 'code':
+ # New code not valid, try restoring the old one
+ index = self.code_options.index(oldvalue)
+ self.__configuring = True
+ try:
+ self.parameters[param]['code_item'].setCurrentIndex(index)
+ finally:
+ self.__configuring = False
+ else:
+ paramdict = {"name": param, field: oldvalue}
+ self.configureLine(**paramdict)
+
+ def validate(self, param, field, oldvalue, newvalue):
+ """Check validity of ``newvalue`` when a cell's value is modified.
+
+ :param param: Fit parameter name
+ :param field: Column name
+ :param oldvalue: Cell value before change attempt
+ :param newvalue: New value to be validated
+ :return: True if new cell value is valid, else False
+ """
+ if field == 'code':
+ return self.setCodeValue(param, oldvalue, newvalue)
+ # FIXME: validate() shouldn't have side effects. Move this bit to configureLine()?
+ if field == 'val1' and str(self.parameters[param]['code']) in ['DELTA', 'FACTOR', 'SUM']:
+ _, candidates = self.getRelatedCandidates(param)
+ # We expect val1 to be a fit parameter name
+ if str(newvalue) in candidates:
+ return True
+ else:
+ return False
+ # except for code, val1 and name (which is read-only and does not need
+ # validation), all fields must always be convertible to float
+ else:
+ try:
+ float(str(newvalue))
+ except ValueError:
+ return False
+ return True
+
+ def setCodeValue(self, param, oldvalue, newvalue):
+ """Update 'code' and 'relatedto' fields when code cell is
+ changed.
+
+ :param param: Fit parameter name
+ :param oldvalue: Cell value before change attempt
+ :param newvalue: New value to be validated
+ :return: ``True`` if code was successfully updated
+ """
+
+ if str(newvalue) in ['FREE', 'POSITIVE', 'QUOTED', 'FIXED']:
+ self.configureLine(name=param,
+ code=newvalue)
+ if str(oldvalue) == 'IGNORE':
+ self.freeRestOfGroup(param)
+ return True
+ elif str(newvalue) in ['FACTOR', 'DELTA', 'SUM']:
+ # I should check here that some parameter is set
+ best, candidates = self.getRelatedCandidates(param)
+ if len(candidates) == 0:
+ return False
+ self.configureLine(name=param,
+ code=newvalue,
+ relatedto=best)
+ if str(oldvalue) == 'IGNORE':
+ self.freeRestOfGroup(param)
+ return True
+
+ elif str(newvalue) == 'IGNORE':
+ # I should check if the group can be ignored
+ # for the time being I just fix all of them to ignore
+ group = int(float(str(self.parameters[param]['group'])))
+ candidates = []
+ for param in self.parameters.keys():
+ if group == int(float(str(self.parameters[param]['group']))):
+ candidates.append(param)
+ # print candidates
+ # I should check here if there is any relation to them
+ for param in candidates:
+ self.configureLine(name=param,
+ code=newvalue)
+ return True
+ elif str(newvalue) == 'ADD':
+ group = int(float(str(self.parameters[param]['group'])))
+ if group == 0:
+ # One cannot add a background group
+ return False
+ i = 0
+ for param in self.parameters:
+ if i <= int(float(str(self.parameters[param]['group']))):
+ i += 1
+ if (group == 0) and (i == 1): # FIXME: why +1?
+ i += 1
+ self.addGroup(i, group)
+ return False
+ elif str(newvalue) == 'SHOW':
+ print(self.getEstimationConstraints(param))
+ return False
+
+ def addGroup(self, newg, gtype):
+ """Add a fit parameter group with the same fit parameters as an
+ existing group.
+
+ This function is called when the user selects "ADD" in the
+ "constraints" combobox.
+
+ :param int newg: New group number
+ :param int gtype: Group number whose parameters we want to copy
+
+ """
+ newparam = []
+ # loop through parameters until we encounter group number `gtype`
+ for param in list(self.parameters):
+ paramgroup = int(float(str(self.parameters[param]['group'])))
+ # copy parameter names in group number `gtype`
+ if paramgroup == gtype:
+ # but replace `gtype` with `newg`
+ newparam.append(param.rstrip("0123456789") + "%d" % newg)
+
+ xmin = self.parameters[param]['xmin']
+ xmax = self.parameters[param]['xmax']
+
+ # Add new parameters (one table line per parameter) and configureLine each
+ # one by updating xmin and xmax to the same values as group `gtype`
+ line = len(list(self.parameters))
+ for param in newparam:
+ self.newParameterLine(param, line)
+ line += 1
+ for param in newparam:
+ self.configureLine(name=param, group=newg, xmin=xmin, xmax=xmax)
+
+ def freeRestOfGroup(self, workparam):
+ """Set ``code`` to ``"FREE"`` for all fit parameters belonging to
+ the same group as ``workparam``. This is done when the entire group
+ of parameters was previously ignored and one of them has his code
+ set to something different than ``"IGNORE"``.
+
+ :param workparam: Fit parameter name
+ """
+ if workparam in self.parameters.keys():
+ group = int(float(str(self.parameters[workparam]['group'])))
+ for param in self.parameters:
+ if param != workparam and\
+ group == int(float(str(self.parameters[param]['group']))):
+ self.configureLine(name=param,
+ code='FREE',
+ cons1=0,
+ cons2=0,
+ val1='',
+ val2='')
+
+ def getRelatedCandidates(self, workparam):
+ """If fit parameter ``workparam`` has a constraint that involves other
+ fit parameters, find possible candidates and try to guess which one
+ is the most likely.
+
+ :param workparam: Fit parameter name
+ :return: (best_candidate, possible_candidates) tuple
+ :rtype: (str, list[str])
+ """
+ candidates = []
+ for param_name in self.parameters:
+ if param_name != workparam:
+ # ignore parameters that are fixed by a constraint
+ if str(self.parameters[param_name]['code']) not in\
+ ['IGNORE', 'FACTOR', 'DELTA', 'SUM']:
+ candidates.append(param_name)
+ # take the previous one (before code cell changed) if possible
+ if str(self.parameters[workparam]['relatedto']) in candidates:
+ best = str(self.parameters[workparam]['relatedto'])
+ return best, candidates
+ # take the first with same base name (after removing numbers)
+ for param_name in candidates:
+ basename = param_name.rstrip("0123456789")
+ try:
+ pos = workparam.index(basename)
+ if pos == 0:
+ best = param_name
+ return best, candidates
+ except ValueError:
+ pass
+ # take the first
+ return candidates[0], candidates
+
+ def setReadOnly(self, parameter, fields):
+ """Make table cells read-only by setting it's flags and omitting
+ flag ``qt.Qt.ItemIsEditable``
+
+ :param parameter: Fit parameter names identifying the rows
+ :type parameter: str or list[str]
+ :param fields: Field names identifying the columns
+ :type fields: str or list[str]
+ """
+ editflags = qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled
+ self.setField(parameter, fields, editflags)
+
+ def setReadWrite(self, parameter, fields):
+ """Make table cells read-write by setting it's flags including
+ flag ``qt.Qt.ItemIsEditable``
+
+ :param parameter: Fit parameter names identifying the rows
+ :type parameter: str or list[str]
+ :param fields: Field names identifying the columns
+ :type fields: str or list[str]
+ """
+ editflags = qt.Qt.ItemIsSelectable |\
+ qt.Qt.ItemIsEnabled |\
+ qt.Qt.ItemIsEditable
+ self.setField(parameter, fields, editflags)
+
+ def setField(self, parameter, fields, edit_flags):
+ """Set text and flags in a table cell.
+
+ :param parameter: Fit parameter names identifying the rows
+ :type parameter: str or list[str]
+ :param fields: Field names identifying the columns
+ :type fields: str or list[str]
+ :param edit_flags: Flag combination, e.g::
+
+ qt.Qt.ItemIsSelectable | qt.Qt.ItemIsEnabled |
+ qt.Qt.ItemIsEditable
+ """
+ if isinstance(parameter, list) or \
+ isinstance(parameter, tuple):
+ paramlist = parameter
+ else:
+ paramlist = [parameter]
+ if isinstance(fields, list) or \
+ isinstance(fields, tuple):
+ fieldlist = fields
+ else:
+ fieldlist = [fields]
+
+ # Set _configuring flag to ignore cellChanged signals in
+ # self.onCellChanged
+ _oldvalue = self.__configuring
+ self.__configuring = True
+
+ # 2D loop through parameter list and field list
+ # to update their cells
+ for param in paramlist:
+ row = list(self.parameters.keys()).index(param)
+ for field in fieldlist:
+ col = self.columnIndexByField(field)
+ if field != 'code':
+ key = field + "_item"
+ item = self.item(row, col)
+ if item is None:
+ item = qt.QTableWidgetItem()
+ item.setText(self.parameters[param][field])
+ self.setItem(row, col, item)
+ else:
+ item.setText(self.parameters[param][field])
+ self.parameters[param][key] = item
+ item.setFlags(edit_flags)
+
+ # Restore previous _configuring flag
+ self.__configuring = _oldvalue
+
+ def configureLine(self, name, code=None, val1=None, val2=None,
+ sigma=None, estimation=None, fitresult=None,
+ group=None, xmin=None, xmax=None, relatedto=None,
+ cons1=None, cons2=None):
+ """This function updates values in a line of the table
+
+ :param name: Name of the parameter (serves as unique identifier for
+ a line).
+ :param code: Constraint code *FREE, FIXED, POSITIVE, DELTA, FACTOR,
+ SUM, QUOTED, IGNORE*
+ :param val1: Constraint 1 (can be the index or name of another
+ parameter for code *DELTA, FACTOR, SUM*, or a min value
+ for code *QUOTED*)
+ :param val2: Constraint 2
+ :param sigma: Standard deviation for a fit parameter
+ :param estimation: Estimated initial value for a fit parameter (used
+ as input to iterative fit)
+ :param fitresult: Final result of fit
+ :param group: Group number of a fit parameter (peak number when doing
+ multi-peak fitting, as each peak corresponds to a group
+ of several consecutive parameters)
+ :param xmin:
+ :param xmax:
+ :param relatedto: Index or name of another fit parameter
+ to which this parameter is related to (constraints)
+ :param cons1: similar meaning to ``val1``, but is always a number
+ :param cons2: similar meaning to ``val2``, but is always a number
+ :return:
+ """
+ paramlist = list(self.parameters.keys())
+
+ if name not in self.parameters:
+ raise KeyError("'%s' is not in the parameter list" % name)
+
+ # update code first, if specified
+ if code is not None:
+ code = str(code)
+ self.parameters[name]['code'] = code
+ # update combobox
+ index = self.parameters[name]['code_item'].findText(code)
+ self.parameters[name]['code_item'].setCurrentIndex(index)
+ else:
+ # set code to previous value, used later for setting val1 val2
+ code = self.parameters[name]['code']
+
+ # val1 and sigma have special formats
+ if val1 is not None:
+ fmt = None if self.parameters[name]['code'] in\
+ ['DELTA', 'FACTOR', 'SUM'] else "%8g"
+ self._updateField(name, "val1", val1, fmat=fmt)
+
+ if sigma is not None:
+ self._updateField(name, "sigma", sigma, fmat="%6.3g")
+
+ # other fields are formatted as "%8g"
+ keys_params = (("val2", val2), ("estimation", estimation),
+ ("fitresult", fitresult))
+ for key, value in keys_params:
+ if value is not None:
+ self._updateField(name, key, value, fmat="%8g")
+
+ # the rest of the parameters are treated as strings and don't need
+ # validation
+ keys_params = (("group", group), ("xmin", xmin),
+ ("xmax", xmax), ("relatedto", relatedto),
+ ("cons1", cons1), ("cons2", cons2))
+ for key, value in keys_params:
+ if value is not None:
+ self.parameters[name][key] = str(value)
+
+ # val1 and val2 have different meanings depending on the code
+ if code == 'QUOTED':
+ if val1 is not None:
+ self.parameters[name]['vmin'] = self.parameters[name]['val1']
+ else:
+ self.parameters[name]['val1'] = self.parameters[name]['vmin']
+ if val2 is not None:
+ self.parameters[name]['vmax'] = self.parameters[name]['val2']
+ else:
+ self.parameters[name]['val2'] = self.parameters[name]['vmax']
+
+ # cons1 and cons2 are scalar representations of val1 and val2
+ self.parameters[name]['cons1'] =\
+ float_else_zero(self.parameters[name]['val1'])
+ self.parameters[name]['cons2'] =\
+ float_else_zero(self.parameters[name]['val2'])
+
+ # cons1, cons2 = min(val1, val2), max(val1, val2)
+ if self.parameters[name]['cons1'] > self.parameters[name]['cons2']:
+ self.parameters[name]['cons1'], self.parameters[name]['cons2'] =\
+ self.parameters[name]['cons2'], self.parameters[name]['cons1']
+
+ elif code in ['DELTA', 'SUM', 'FACTOR']:
+ # For these codes, val1 is the fit parameter name on which the
+ # constraint depends
+ if val1 is not None and val1 in paramlist:
+ self.parameters[name]['relatedto'] = self.parameters[name]["val1"]
+
+ elif val1 is not None:
+ # val1 could be the index of the fit parameter
+ try:
+ self.parameters[name]['relatedto'] = paramlist[int(val1)]
+ except ValueError:
+ self.parameters[name]['relatedto'] = self.parameters[name]["val1"]
+
+ elif relatedto is not None:
+ # code changed, val1 not specified but relatedto specified:
+ # set val1 to relatedto (pre-fill best guess)
+ self.parameters[name]["val1"] = relatedto
+
+ # update fields "delta", "sum" or "factor"
+ key = code.lower()
+ self.parameters[name][key] = self.parameters[name]["val2"]
+
+ # FIXME: val1 is sometimes specified as an index rather than a param name
+ self.parameters[name]['val1'] = self.parameters[name]['relatedto']
+
+ # cons1 is the index of the fit parameter in the ordered dictionary
+ if self.parameters[name]['val1'] in paramlist:
+ self.parameters[name]['cons1'] =\
+ paramlist.index(self.parameters[name]['val1'])
+
+ # cons2 is the constraint value (factor, delta or sum)
+ try:
+ self.parameters[name]['cons2'] =\
+ float(str(self.parameters[name]['val2']))
+ except ValueError:
+ self.parameters[name]['cons2'] = 1.0 if code == "FACTOR" else 0.0
+
+ elif code in ['FREE', 'POSITIVE', 'IGNORE', 'FIXED']:
+ self.parameters[name]['val1'] = ""
+ self.parameters[name]['val2'] = ""
+ self.parameters[name]['cons1'] = 0
+ self.parameters[name]['cons2'] = 0
+
+ self._updateCellRWFlags(name, code)
+
+ def _updateField(self, name, field, value, fmat=None):
+ """Update field in ``self.parameters`` dictionary, if the new value
+ is valid.
+
+ :param name: Fit parameter name
+ :param field: Field name
+ :param value: New value to assign
+ :type value: String
+ :param fmat: Format string (e.g. "%8g") to be applied if value represents
+ a scalar. If ``None``, format is not modified. If ``value`` is an
+ empty string, ``fmat`` is ignored.
+ """
+ if value is not None:
+ oldvalue = self.parameters[name][field]
+ if fmat is not None:
+ newvalue = fmat % float(value) if value != "" else ""
+ else:
+ newvalue = value
+ self.parameters[name][field] = newvalue if\
+ self.validate(name, field, oldvalue, newvalue) else\
+ oldvalue
+
+ def _updateCellRWFlags(self, name, code=None):
+ """Set read-only or read-write flags in a row,
+ depending on the constraint code
+
+ :param name: Fit parameter name identifying the row
+ :param code: Constraint code, in `'FREE', 'POSITIVE', 'IGNORE',`
+ `'FIXED', 'FACTOR', 'DELTA', 'SUM', 'ADD'`
+ :return:
+ """
+ if code in ['FREE', 'POSITIVE', 'IGNORE', 'FIXED']:
+ self.setReadWrite(name, 'estimation')
+ self.setReadOnly(name, ['fitresult', 'sigma', 'val1', 'val2'])
+ else:
+ self.setReadWrite(name, ['estimation', 'val1', 'val2'])
+ self.setReadOnly(name, ['fitresult', 'sigma'])
+
+ def getEstimationConstraints(self, param):
+ """
+ Return tuple ``(estimation, constraints)`` where ``estimation`` is the
+ value in the ``estimate`` field and ``constraints`` are the relevant
+ constraints according to the active code
+ """
+ estimation = None
+ constraints = None
+ if param in self.parameters.keys():
+ buf = str(self.parameters[param]['estimation'])
+ if len(buf):
+ estimation = float(buf)
+ else:
+ estimation = 0
+ if str(self.parameters[param]['code']) in self.code_options:
+ code = self.code_options.index(
+ str(self.parameters[param]['code']))
+ else:
+ code = str(self.parameters[param]['code'])
+ cons1 = self.parameters[param]['cons1']
+ cons2 = self.parameters[param]['cons2']
+ constraints = [code, cons1, cons2]
+ return estimation, constraints
+
+
+def main(args):
+ from silx.math.fit import fittheories
+ from silx.math.fit import fitmanager
+ try:
+ from PyMca5 import PyMcaDataDir
+ except ImportError:
+ raise ImportError("This demo requires PyMca data. Install PyMca5.")
+ import numpy
+ import os
+ app = qt.QApplication(args)
+ tab = Parameters(paramlist=['Height', 'Position', 'FWHM'])
+ tab.showGrid()
+ tab.configureLine(name='Height', estimation='1234', group=0)
+ tab.configureLine(name='Position', code='FIXED', group=1)
+ tab.configureLine(name='FWHM', group=1)
+
+ y = numpy.loadtxt(os.path.join(PyMcaDataDir.PYMCA_DATA_DIR,
+ "XRFSpectrum.mca")) # FIXME
+
+ x = numpy.arange(len(y)) * 0.0502883 - 0.492773
+ fit = fitmanager.FitManager()
+ fit.setdata(x=x, y=y, xmin=20, xmax=150)
+
+ fit.loadtheories(fittheories)
+
+ fit.settheory('ahypermet')
+ fit.configure(Yscaling=1.,
+ PositiveFwhmFlag=True,
+ PositiveHeightAreaFlag=True,
+ FwhmPoints=16,
+ QuotedPositionFlag=1,
+ HypermetTails=1)
+ fit.setbackground('Linear')
+ fit.estimate()
+ fit.runfit()
+ tab.fillFromFit(fit.fit_results)
+ tab.show()
+ app.exec_()
+
+if __name__ == "__main__":
+ main(sys.argv)