improved Parameters machinery

src/scgenerator/cli/cli.py

@@ -175,9 +175,10 @@ def merge(args):
 
 
 def preview(args):
-    path = args.path
+    for path in utils.simulations_list(args.path):
-    partial_plot(path)
+        partial_plot(path)
-    plt.show()
+        plt.show()
+        plt.close()
 
 
 def prep_ray():

src/scgenerator/evaluator.py

@@ -95,17 +95,6 @@ class EvalStat:
     priority: float = np.inf
 
 
-class pdict(dict):
-    """a dictionary that cannot have any None value"""
-
-    def __setitem__(self, k, v):
-        if v is None:
-            if k in self:
-                del self[k]
-        else:
-            super().__setitem__(k, v)
-
-
 class Evaluator:
     defaults: dict[str, Any] = {}
 

src/scgenerator/parameter.py

@@ -1,6 +1,5 @@
 from __future__ import annotations
 
-
 import datetime as datetime_module
 import enum
 import os
@@ -8,14 +7,16 @@ import time
 from copy import copy
 from dataclasses import dataclass, field, fields
 from functools import lru_cache
+from math import isnan
 from pathlib import Path
-from typing import Any, Callable, Iterable, Iterator, TypeVar, Union
+from typing import Any, Callable, ClassVar, Iterable, Iterator, Set, Type, TypeVar, Union
 
 import numpy as np
 
 from . import env, legacy, utils
 from .const import MANDATORY_PARAMETERS, PARAM_FN, VALID_VARIABLE, __version__
-from .evaluator import Evaluator, pdict
+from .errors import EvaluatorError
+from .evaluator import Evaluator
 from .logger import get_logger
 from .operators import AbstractConservedQuantity, LinearOperator, NonLinearOperator
 from .utils import fiber_folder, update_path_name
@@ -199,43 +200,51 @@ class Parameter:
             converts a valid value (for example, str.lower), by default None
         default : callable, optional
             factory function for a default value (for example, list), by default None
+        display_info : tuple[float, str], optional
+            a factor by which to multiply the value and a string to be appended as a suffix
+            when displaying the value
+            example : (1e-6, "MW") will mean the value 1.12e6 is displayed as '1.12MW'
         """
-
+        self.__validator = validator
-        self.validator = validator
         self.converter = converter
         self.default = default
         self.display_info = display_info
-        self.value = None
 
-    def __set_name__(self, owner, name):
+    def __set_name__(self, owner: Type[Parameters], name):
         self.name = name
+        try:
+            owner._p_names.add(self.name)
+        except AttributeError:
+            pass
         if self.default is not None:
             Evaluator.register_default_param(self.name, self.default)
         VariationDescriptor.register_formatter(self.name, self.display)
 
-    def __get__(self, instance, owner):
+    def __get__(self, instance: Parameters, owner):
         if instance is None:
             return self
         if self.name not in instance._param_dico:
-            instance._evaluator.compute(self.name)
+            try:
-        return instance._param_dico[self.name]
+                instance._evaluator.compute(self.name)
+            except EvaluatorError:
+                pass
+        return instance._param_dico.get(self.name)
         # return instance.__dict__[self.name]
 
     def __delete__(self, instance):
         raise AttributeError("Cannot delete parameter")
 
-    def __set__(self, instance, value):
+    def __set__(self, instance: Parameters, value):
         if isinstance(value, Parameter):
-            defaut = None if self.default is None else copy(self.default)
+            if self.default is not None:
-            instance._param_dico[self.name] = defaut
+                instance._param_dico[self.name] = copy(self.default)
-            # instance.__dict__[self.name] = defaut
         else:
-            if value is not None:
+            is_value, value = self.validate(value)
-                if self.converter is not None:
+            if is_value:
-                    value = self.converter(value)
+                instance._param_dico[self.name] = value
-                self.validator(self.name, value)
+            else:
-            instance._param_dico[self.name] = value
+                if self.name in instance._param_dico:
-            # instance.__dict__[self.name] = value
+                    del instance._param_dico[self.name]
 
     def display(self, num: float) -> str:
         if self.display_info is None:
@@ -247,6 +256,22 @@ class Parameter:
                 num_str = num_str[:-3]
             return f"{num_str} {unit}"
 
+    def validate(self: Parameter, v) -> tuple[bool, Any]:
+        if v is None:
+            is_value = False
+        try:
+            is_value = not isnan(v)
+        except TypeError:
+            is_value = True
+        if is_value:
+            if self.converter is not None:
+                v = self.converter(v)
+            self.__validator(self.name, v)
+        return is_value, v
+
+    def validator(self, name, value):
+        self.validate(value)
+
 
 @dataclass(repr=False)
 class Parameters:
@@ -255,8 +280,9 @@ class Parameters:
     """
 
     # internal machinery
-    _param_dico: pdict[str, Any] = field(init=False, default_factory=pdict, repr=False)
+    _param_dico: dict[str, Any] = field(init=False, default_factory=dict, repr=False)
     _evaluator: Evaluator = field(init=False, repr=False)
+    _p_names: ClassVar[Set[str]] = set()
 
     # root
     name: str = Parameter(string, default="no name")
@@ -383,7 +409,9 @@ class Parameters:
     def __repr_list__(self) -> Iterator[str]:
         yield from (f"{k}={v}" for k, v in self.dump_dict().items())
 
-    def dump_dict(self) -> dict[str, Any]:
+    def dump_dict(self, compute=True) -> dict[str, Any]:
+        if compute:
+            self.compute_in_place()
         param = Parameters.strip_params_dict(self._param_dico)
         param["datetime"] = datetime_module.datetime.now()
         param["version"] = __version__
@@ -408,8 +436,8 @@ class Parameters:
     def load(cls, path: os.PathLike) -> "Parameters":
         return cls(**utils.load_toml(path))
 
-    @staticmethod
+    @classmethod
-    def strip_params_dict(dico: dict[str, Any]) -> dict[str, Any]:
+    def strip_params_dict(cls, dico: dict[str, Any]) -> dict[str, Any]:
         """prepares a dictionary for serialization. Some keys may not be preserved
         (dropped because they take a lot of space and can be exactly reconstructed)
 
@@ -439,7 +467,7 @@ class Parameters:
         types = (np.ndarray, float, int, str, list, tuple, dict, Path)
         out = {}
         for key, value in dico.items():
-            if key in forbiden_keys:
+            if key in forbiden_keys or key not in cls._p_names:
                 continue
             if not isinstance(value, types):
                 continue
@@ -575,7 +603,7 @@ class Configuration:
     def __validate_variable(self, vary_dict_list: list[dict[str, list]]):
         for vary_dict in vary_dict_list:
             for k, v in vary_dict.items():
-                p = getattr(Parameters, k)
+                p: Parameter = getattr(Parameters, k)
                 validator_list(p.validator)("variable " + k, v)
                 if k not in VALID_VARIABLE:
                     raise TypeError(f"{k!r} is not a valid variable parameter")

src/scgenerator/physics/simulate.py

@@ -9,12 +9,8 @@ from typing import Any, Generator, Optional, Type, Union
 import numpy as np
 
 from .. import utils
-from ..errors import EvaluatorError
 from ..logger import get_logger
-from ..operators import (
+from ..operators import AbstractConservedQuantity, CurrentState
-    AbstractConservedQuantity,
-    CurrentState,
-)
 from ..parameter import Configuration, Parameters
 from ..pbar import PBars, ProgressBarActor, progress_worker
 
@@ -97,9 +93,9 @@ class RK4IP:
         self.store_num = len(self.z_targets)
 
         # Setup initial values for every physical quantity that we want to track
-        try:
+        if self.params.A_eff_arr is not None:
             C_to_A_factor = (self.params.A_eff_arr / self.params.A_eff_arr[0]) ** (1 / 4)
-        except EvaluatorError:
+        else:
             C_to_A_factor = 1.0
         z = self.z_targets.pop(0)
         # Initial step size

src/scgenerator/plotting.py

@@ -1072,8 +1072,9 @@ def annotate_fwhm(
 
 
 def partial_plot(root: os.PathLike):
-    fig, (left, right) = plt.subplots(1, 2, figsize=(12, 8))
     path = Path(root)
+    fig, (left, right) = plt.subplots(1, 2, figsize=(12, 8))
+    fig.suptitle(path.name)
     spec_list = sorted(
         path.glob(SPEC1_FN.format("*")), key=lambda el: int(re.search("[0-9]+", el.name)[0])
     )