"""This module contains the `Ioniz` class."""
from pathlib import Path
from typing import TYPE_CHECKING, Generator
import numpy as np
from irradiapy.srim.ofiles.srimfile import SRIMFile
if TYPE_CHECKING:
from irradiapy.srim.srimdb import SRIMDB
[docs]
class Ioniz(SRIMFile):
"""Class to handle `IONIZ.txt` file."""
[docs]
def process_file(self, ioniz_path: Path) -> None:
"""Processes `IONIZ.txt` file.
Parameters
----------
ioniz_path : Path
`IONIZ.txt` path.
"""
cur = self.cursor()
cur.execute(
"CREATE TABLE ioniz (depth REAL, ioniz_ions REAL, ioniz_recoils REAL)"
)
with open(ioniz_path, "r", encoding="utf-8") as file:
for line in file:
if line.startswith(" TARGET"):
break
next(file)
next(file)
next(file)
for _ in range(100):
line = next(file)
data = list(map(float, line[:-1].split()))
depth = data[0]
ioniz_ions = data[1]
ioniz_recoils = data[2]
cur.execute(
(
"INSERT INTO ioniz(depth, ioniz_ions, ioniz_recoils)"
"VALUES(?, ?, ?)"
),
[depth, ioniz_ions, ioniz_recoils],
)
cur.close()
self.srim.commit()
[docs]
def read(
self, what: str = "*", condition: str = ""
) -> Generator[tuple, None, None]:
"""Reads ioniz data from the database as a generator.
Parameters
----------
what : str
Columns to select.
condition : str
Condition to filter data.
Yields
------
Generator[tuple, None, None]
Data from the database.
"""
cur = self.cursor()
cur.execute(f"SELECT {what} FROM ioniz {condition}")
while True:
data = cur.fetchone()
if data:
yield data
else:
break
cur.close()
[docs]
def merge(self, srimdb2: "SRIMDB") -> None:
"""Merges the ioniz table with another database.
Parameters
----------
srimdb2 : SRIMDB
SRIM database to merge.
"""
nions1 = self.srim.nions
nions2 = srimdb2.nions
nions = nions1 + nions2
ioniz1 = np.array(list(self.read()))
ioniz2 = np.array(list(srimdb2.ioniz.read()))
ioniz1[:, 1:] *= nions1
ioniz2[:, 1:] *= nions2
ioniz1[:, 1:] += ioniz2[:, 1:]
ioniz1[:, 1:] /= nions
cur = self.cursor()
cur.execute("DELETE FROM ioniz")
cur.executemany(
"INSERT INTO ioniz(depth, ioniz_ions, ioniz_recoils) VALUES(?, ?, ?)",
ioniz1,
)
cur.close()
self.srim.commit()