Merge branch 'fit_bounds'
This commit is contained in:
Dominik Demuth
commit
6f76349932
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@ -86,15 +86,21 @@ class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):
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p = self.parameter_line.text().replace(',', '.')
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if self.checkBox.isChecked():
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try:
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lb = float(self.lineEdit.text().replace(',', '.'))
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except ValueError:
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lb = None
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lb_text = self.lineEdit.text()
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lb = None
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if lb_text:
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try:
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lb = float(lb_text.replace(',', '.'))
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except ValueError:
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lb = lb_text
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try:
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rb = float(self.lineEdit_2.text().replace(',', '.'))
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except ValueError:
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rb = None
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ub_text = self.lineEdit_2.text()
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rb = None
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if ub_text:
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try:
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rb = float(ub_text.replace(',', '.'))
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except ValueError:
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rb = ub_text
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else:
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lb = rb = None
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@ -278,10 +278,12 @@ class FitRoutine(object):
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data._model = self.fit_model
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self._no_own_model.append(data)
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data.parameter.prepare_bounds()
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return self._prep_parameter(data.parameter)
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@staticmethod
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def _prep_parameter(parameter):
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def _prep_parameter(parameter: Parameters):
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vals = []
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var_pars = []
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for p_k, v_k in parameter.items():
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@ -293,7 +295,8 @@ class FitRoutine(object):
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return pp, lb, ub, var_pars
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def _prep_global(self, data_group, linked):
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@staticmethod
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def _prep_global(data_group: list[Data], linked):
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p0 = []
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lb = []
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ub = []
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@ -306,6 +309,8 @@ class FitRoutine(object):
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for k, v in data.model.parameter.items():
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data.replace_parameter(k, v)
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data.parameter.prepare_bounds()
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actual_pars = []
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for i, p_k in enumerate(data.para_keys):
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p_k_used = p_k
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@ -1,5 +1,6 @@
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from __future__ import annotations
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import ast
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import re
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from itertools import count
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from io import StringIO
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@ -39,10 +40,11 @@ class Parameters(dict):
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value: str | float | int = None,
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*,
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var: bool = True,
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lb: float = -np.inf, ub: float = np.inf) -> Parameter:
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lb: str | float = -np.inf,
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ub: str | float = np.inf) -> Parameter:
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par = Parameter(name=name, value=value, var=var, lb=lb, ub=ub)
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key = f'p{next(Parameters.parameter_counter)}'
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key = f'_p{next(Parameters.parameter_counter)}'
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self.add_parameter(key, par)
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@ -99,6 +101,93 @@ class Parameters(dict):
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p._expr = expression
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def prepare_bounds(self):
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print('prepare_bounds')
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original_values = list(self.values())
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for param in original_values:
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already_with_expression = False
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for mode, value in (('lower', param.lb), ('upper', param.ub)):
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print(mode, value)
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if already_with_expression:
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raise ValueError('Only one boundary can be an expression')
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already_with_expression = self.parse(param, value, bnd=mode)
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def parse(self, parameter, expression: str, bnd: str = 'lower') -> bool:
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try:
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float(expression)
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return False
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except ValueError:
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pp = ast.parse(expression)
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expr_syms = pp.body[0].value
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if isinstance(expr_syms, ast.BinOp):
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left, op, right = expr_syms.left, expr_syms.op, expr_syms.right
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# check for sign in numerator
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sign = 1
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if isinstance(left, ast.UnaryOp):
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if isinstance(left.op, (ast.Not, ast.Invert)):
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raise ValueError('Only `+` and `-` are supported for signs')
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if isinstance(left.op, ast.USub):
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sign = -1
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left = left.operand
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# is expression number / parameter?
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if not (isinstance(left, ast.Constant) and isinstance(op, ast.Div) and isinstance(right, ast.Name)):
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raise ValueError('Only simple division `const/parameter` are possible')
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result = self.make_proxy_div(parameter, left.value*sign, right.id, bnd=bnd)
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return result
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else:
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raise ValueError('I cannot work under these conditions')
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def make_proxy_div(self, param, num: str | float, denom: str | float, bnd: str = 'upper') -> bool:
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other_param = self[denom]
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other_lb, other_ub = other_param.lb, other_param.ub
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proxy = {'name': f'{param.name}*{other_param.name}', 'value': other_param.value*param.value, 'lb': None, 'ub': None}
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# switching signs is bad for inequalities
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if other_lb < 0 < other_ub:
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raise ValueError('Parameter in expression changes sign')
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if bnd == 'upper':
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# this whole schlamassel is only working for some values as lower bound
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if param.lb not in [-np.inf, 0]:
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raise ValueError('Invalid lower bounds')
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if other_ub < 0 or num < 0:
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# upper bound is always negative, switch boundaries
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proxy['lb'] = num
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proxy['ub'] = param.lb if param.lb == 0 else np.inf
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else:
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# upper bound is always positive
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proxy['lb'] = param.lb
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proxy['ub'] = num
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elif bnd == 'lower':
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if param.ub not in [np.inf, 0]:
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raise ValueError('Invalid upper bound')
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if other_ub <= 0 or num < 0:
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proxy['lb'] = param.lb if param.lb == 0 else np.inf
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proxy['ub'] = num
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else:
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proxy['lb'] = num
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proxy['ub'] = param.ub
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else:
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raise ValueError(f'unknown bound {bnd!r}, use `upper`or `lower`')
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param.set_expression(f'{num}/{denom}')
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self.add(**proxy)
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self.update_namespace()
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return True
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class Parameter:
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"""
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@ -106,15 +195,21 @@ class Parameter:
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"""
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# TODO Parameter should know its own key
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def __init__(self, name: str, value: float | str, var: bool = True, lb: float = -np.inf, ub: float = np.inf):
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def __init__(self,
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name: str,
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value: float | str,
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var: bool = True,
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lb: str | float = -np.inf,
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ub: str | float = np.inf,
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):
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self._value: float | None = None
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self.var: bool = bool(var) if var is not None else True
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self.error: None | float = None if self.var is False else 0.0
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self.name: str = name
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self.function: str = ""
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self.lb: None | float = lb if lb is not None else -np.inf
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self.ub: float | None = ub if ub is not None else np.inf
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self.lb: str | None | float = lb if lb is not None else -np.inf
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self.ub: str | float | None = ub if ub is not None else np.inf
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self.namespace: dict = {}
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self.eval_allowed: bool = True
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self._expr: None | str = None
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@ -126,10 +221,13 @@ class Parameter:
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self._expr = value
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self.var = False
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else:
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if self.lb <= value <= self.ub:
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self._value = value
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if isinstance(self.lb, (int, float)) and isinstance(self.ub, (int, float)):
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if self.lb <= value <= self.ub:
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self._value = value
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else:
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raise ValueError('Value of parameter is outside bounds')
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else:
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raise ValueError('Value of parameter is outside bounds')
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self._value = value
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self.init_val = value
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@ -191,6 +289,12 @@ class Parameter:
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return
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def set_expression(self, expr: str):
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self._value = None
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self._expr_disp = expr
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self._expr = expr
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self.var = False
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@property
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def scaled_error(self) -> None | float:
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if self.error is not None:
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