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add namespace to parameter

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This commit is contained in:
Dominik Demuth 2023-07-24 20:12:55 +02:00
parent 3149a3f958
commit 7a50028202
3 changed files with 98 additions and 45 deletions
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2
src/nmreval/fit/data.py
View File

@ -102,7 +102,7 @@ class Data(object):
if ub is None:
ub = model.ub
self.para_keys = self.parameter.add_parameter(parameter, var=var, lb=lb, ub=ub)
self.para_keys = self.parameter.add_parameter(parameter, var=var, lb=lb, ub=ub, names=model.params)
if fun_kwargs is not None:
self.fun_kwargs.update(fun_kwargs)

4
src/nmreval/fit/minimizer.py
View File

@ -273,8 +273,12 @@ class FitRoutine(object):
def __cost_scipy(self, p, data, varpars, used_pars):
for keys, values in zip(varpars, p):
self.parameter[keys].scaled_value = values
self.parameter._namespace[keys] = self.parameter[keys].scaled_value
print(id(self.parameter._namespace), id(self.parameter[keys].namespace))
actual_parameters = [self.parameter[keys].value for keys in used_pars]
print(actual_parameters)
return data.cost(actual_parameters)
def __cost_odr(self, p, data, varpars, used_pars):

137
src/nmreval/fit/parameter.py
View File

@ -9,6 +9,10 @@ import numpy as np
class Parameters(dict):
count = count()
def __init__(self):
super().__init__()
self._namespace = {}
def __str__(self):
return 'Parameters:\n' + '\n'.join([str(k)+': '+str(v) for k, v in self.items()])
@ -22,7 +26,7 @@ class Parameters(dict):
return super().__getitem__(item)
@staticmethod
def _prep_bounds(val, p_len: int) -> list:
def _prep_bounds(val: list, p_len: int) -> list:
# helper function to ensure that bounds and variable are of parameter shape
if isinstance(val, (Number, bool)) or val is None:
return [val] * p_len
@ -34,10 +38,10 @@ class Parameters(dict):
return [val[0]] * p_len
else:
raise ValueError('Input {} has wrong dimensions'.format(val))
raise ValueError(f'Input {val} has wrong dimensions')
def add_parameter(self, param, var=None, lb=None, ub=None):
if isinstance(param, Number):
def add_parameter(self, param: float | list[float], var=None, lb=None, ub=None, names=None) -> list:
if isinstance(param, (float, int)):
param = [param]
p_len = len(param)
@ -50,26 +54,42 @@ class Parameters(dict):
new_keys = []
for i in range(p_len):
new_idx = next(self.count)
new_keys.append(new_idx)
self[new_idx] = Parameter(param[i], var=var[i], lb=lb[i], ub=ub[i])
if names is not None:
key = names[i]
else:
key = f'_p{new_idx}'
new_keys.append(key)
self[key] = Parameter(param[i], var=var[i], lb=lb[i], ub=ub[i])
return new_keys
def copy(self):
p = Parameters()
def add(self, name: str | Parameter, value: str | float | int = None, *, var=True, lb=-np.inf, ub=np.inf):
if isinstance(name, Parameter):
par = name
else:
par = Parameter(name=name, value=value, var=var, lb=lb, ub=ub)
self[name] = par
par.eval_allowed = False
self._namespace[name] = par.value
par.namespace = self._namespace
par.eval_allowed = True
def copy(self) -> Parameters:
print('huhuuhuh')
new_para_dict = Parameters()
for k, v in self.items():
p[k] = Parameter(v.value, var=v.var, lb=v.lb, ub=v.ub)
new_para = v.copy()
new_para_dict.add(new_para)
if len(p) == 0:
return p
# if len(p) == 0:
# return p
max_k = max(p.keys())
c = next(p.count)
while c < max_k:
c = next(p.count)
# max_k = int(max(p.keys(), key=lambda x: int(k[2:]))[2:])
# c = next(p.count)
# while c < max_k:
# c = next(p.count)
return p
return new_para_dict
def get_state(self):
return {k: v.get_state() for k, v in self.items()}
@ -79,33 +99,40 @@ class Parameter:
"""
Container for one parameter
"""
__slots__ = ['name', 'value', 'error', 'init_val', 'var', 'lb', 'ub', 'scale', 'function']
def __init__(self, value: float, var: bool = True, lb: float = -np.inf, ub: float = np.inf):
self.lb = lb if lb is not None else -np.inf
self.ub = ub if ub is not None else np.inf
if self.lb <= value <= self.ub:
self.value = value
else:
print(value, self.lb, self.ub)
raise ValueError('Value of parameter is outside bounds')
self.init_val = value
with np.errstate(divide='ignore'):
# throws RuntimeWarning for zeros
self.scale = 10**(np.floor(np.log10(np.abs(self.value))))
if self.scale == 0:
self.scale = 1.
def __init__(self, name: str, value: float | str, var: bool = True, lb: float = -np.inf, ub: float = np.inf):
self.scale = 1
self.var = bool(var) if var is not None else True
self.error = None if self.var is False else 0.0
self.name = ''
self.name = name
self.function = ''
self.lb = lb if lb is not None else -np.inf
self.ub = ub if ub is not None else np.inf
self._value = None
self.namespace = None
self.eval_allowed = True
self._expr = None
def __str__(self):
if isinstance(value, str):
self._expr = value
self.var = False
else:
if self.lb <= value <= self.ub:
self._value = value
else:
raise ValueError('Value of parameter is outside bounds')
self.init_val = value
with np.errstate(divide='ignore'):
# throws RuntimeWarning for zeros
self.scale = 10**(np.floor(np.log10(np.abs(self.value))))
if self.scale == 0:
self.scale = 1.
def __str__(self) -> str:
start = ''
if self.name:
if self.function:
@ -116,9 +143,15 @@ class Parameter:
if self.var:
return start + f'{self.value:.4g} +/- {self.error:.4g}, init={self.init_val}'
else:
return start + f'{self.value:} (fixed)'
ret_string = start + f'{self.value:}'
if self._expr is None:
ret_string += ' (fixed)'
else:
ret_string += f' (calc: {self._expr})'
def __add__(self, other: Parameter | float) -> float:
return ret_string
def __add__(self, other: Parameter | float | int) -> float:
if isinstance(other, (float, int)):
return self.value + other
elif isinstance(other, Parameter):
@ -132,8 +165,15 @@ class Parameter:
return self.value / self.scale
@scaled_value.setter
def scaled_value(self, value):
self.value = value * self.scale
def scaled_value(self, value: float):
self._value = value * self.scale
@property
def value(self) -> float:
if self._expr is not None and self.eval_allowed:
return eval(self._expr, self.namespace)
elif self._value is not None:
return self._value
@property
def scaled_error(self):
@ -148,7 +188,7 @@ class Parameter:
def get_state(self):
return {slot: getattr(self, slot) for slot in self.__slots__}
return {slot: getattr(self, slot) for slot in self.__slots__}
@staticmethod
def set_state(state: dict):
@ -165,3 +205,12 @@ class Parameter:
name += ' (' + self.function + ')'
return name
def copy(self) -> Parameter:
if self._expr:
val = self._expr
else:
val = self._value
para_copy = Parameter(name=self.name, value=val, var=self.var, lb=self.lb, ub=self.ub)
return para_copy