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feat: Adds better diagnostic of full dipole info

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This commit is contained in:
Deepak Mallubhotla
2022-02-06 19:03:04 -06:00
parent c1591c9ce9
commit 34e124b18f
3 changed files with 77 additions and 66 deletions
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deepdog/diagnostic.py
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@@ -3,6 +3,7 @@ import pdme
from deepdog.bayes_run import DotInput
import datetime
import numpy
from dataclasses import dataclass
import logging
from typing import Sequence, Tuple
import csv
@@ -16,6 +17,30 @@ def get_a_result(discretisation, dots, index):
return (index, discretisation.solve_for_index(dots, index))
@dataclass
class SingleDipoleDiagnostic():
model: str
index: Tuple
bounds: Tuple
actual_dipole: OscillatingDipole
result_dipole: OscillatingDipole
success: bool
def __post_init__(self) -> None:
self.p_actual_x = self.actual_dipole.p[0]
self.p_actual_y = self.actual_dipole.p[1]
self.p_actual_z = self.actual_dipole.p[2]
self.s_actual_x = self.actual_dipole.s[0]
self.s_actual_y = self.actual_dipole.s[1]
self.s_actual_z = self.actual_dipole.s[2]
self.p_result_x = self.result_dipole.p[0]
self.p_result_y = self.result_dipole.p[1]
self.p_result_z = self.result_dipole.p[2]
self.s_result_x = self.result_dipole.s[0]
self.s_result_y = self.result_dipole.s[1]
self.s_result_z = self.result_dipole.s[2]
class Diagnostic():
'''
Represents a diagnostic for a single dipole moment given a set of discretisations.
@@ -40,10 +65,10 @@ class Diagnostic():
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"]
self.csv_fields = ["model", "index", "bounds", "p_actual_x", "p_actual_y", "p_actual_z", "s_actual_x", "s_actual_y", "s_actual_z", "actual_dipole_freq", "success", "p_result_x", "p_result_y", "p_result_z", "s_result_x", "s_result_y", "s_result_z"]
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.csv"
self.filename = f"{timestamp}-{filename_slug}.diag.csv"
def go(self):
with open(self.filename, "a", newline="") as outfile:
@@ -66,15 +91,7 @@ class Diagnostic():
bounds = discretisation.bounds(idx)
actual_success = result.success and result.cost <= 1e-10
row = {
"model": name,
"index": idx,
"bounds": 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,
}
diag_row = SingleDipoleDiagnostic(name, idx, bounds, self.dipoles.dipoles[0], discretisation.model.solution_as_dipoles(result.normalised_x), actual_success)
row = vars(diag_row)
_logger.debug(f"Writing result {row}")
writer.writerow(row)