Adds diagnostic and fixes editorconfig

.editorconfig

@@ -3,5 +3,5 @@ root = true
 # Unix-style newlines with a newline ending every file
 [*]
 end_of_line = lf
-insert_final_newline = true
+# insert_final_newline = true
 indent_style = tab

deepdog/diagnostic.py

@@ -0,0 +1,80 @@
+from pdme.measurement import OscillatingDipole, OscillatingDipoleArrangement
+import pdme
+from deepdog.bayes_run import DotInput
+import datetime
+import numpy
+import logging
+from typing import Sequence, Tuple
+import csv
+import itertools
+import multiprocessing
+
+_logger = logging.getLogger(__name__)
+
+
+def get_a_result(discretisation, dots, index):
+	return (index, discretisation.solve_for_index(dots, index))
+
+
+class Diagnostic():
+	'''
+	Represents a diagnostic for a single dipole moment given a set of discretisations.
+
+	Parameters
+	----------
+	dot_inputs : Sequence[DotInput]
+		The dot inputs for this diagnostic.
+	discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
+		The models to evaluate.
+	actual_model_discretisation : pdme.model.Discretisation
+		The discretisation for the model which is actually correct.
+	filename_slug : str
+		The filename slug to include.
+	run_count: int
+		The number of runs to do.
+	'''
+	def __init__(self, actual_dipole_moment: numpy.ndarray, actual_dipole_position: numpy.ndarray, actual_dipole_frequency: float, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], filename_slug: str) -> None:
+		self.dipoles = OscillatingDipoleArrangement([OscillatingDipole(actual_dipole_moment, actual_dipole_position, actual_dipole_frequency)])
+		self.dots = self.dipoles.get_dot_measurements(dot_inputs)
+
+		self.discretisations_with_names = discretisations_with_names
+		self.model_count = len(self.discretisations_with_names)
+
+		self.csv_fields = ["model", "index", "bounds", "actual_dipole_moment", "actual_dipole_position", "actual_dipole_freq", "success", "result"]
+
+		timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
+		self.filename = f"{timestamp}-{filename_slug}.csv"
+
+	def go(self):
+		with open(self.filename, "a", newline="") as outfile:
+			# csv fields
+			writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect='unix')
+			writer.writeheader()
+
+		for (name, discretisation) in self.discretisations_with_names:
+			_logger.info(f"Working on discretisation {name}")
+
+			results = []
+			with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
+				results = pool.starmap(get_a_result, zip(itertools.repeat(discretisation), itertools.repeat(self.dots), discretisation.all_indices()))
+
+			with open(self.filename, "a", newline='') as outfile:
+				writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect='unix')
+
+				for idx, result in results:
+
+					bounds = discretisation.bounds(idx)
+
+					actual_success = result.success and result.cost <= 1e-10
+					row = {
+						"model": name,
+						"index": idx,
+						"bounds_px": bounds,
+						"actual_dipole_moment": self.dipoles.dipoles[0].p,
+						"actual_dipole_position": self.dipoles.dipoles[0].s,
+						"actual_dipole_freq": self.dipoles.dipoles[0].w,
+						"success": actual_success,
+						"result": result.normalised_x if actual_success else None,
+					}
+					_logger.debug(f"Writing result {row}")
+					writer.writerow(row)