"""This module contains the `E2Recoil` class."""
from pathlib import Path
from irradiapy.srim.srimfile import SRIMFile
[docs]
class E2Recoil(SRIMFile):
"""Class to handle `E2RECOIL.txt` file."""
def __post_init__(self) -> None:
super().__post_init__()
if self.srim.calculation == "quick":
self.process_file = self.__process_file_qc
else:
self.process_file = self.__process_file_fc
def __process_file_qc(self, e2recoil_path: Path) -> None:
"""Processes `E2RECOIL.txt` file in Quick-Calculation mode.
Parameters
----------
e2recoil_path : Path
`E2RECOIL.txt` path.
"""
cur = self.cursor()
cur.execute(
(
"CREATE TABLE e2recoil"
"(depth REAL, energy_ions REAL, energy_absorbed REAL)"
)
)
with open(e2recoil_path, "r", encoding="utf-8") as file:
for line in file:
if line.startswith(" DEPTH"):
break
next(file)
next(file)
next(file)
for _ in range(100):
line = next(file).replace(",", ".")
data = list(map(float, line[:-1].split()))
depth = data[0]
energy_ions = data[1]
energy_absorbed = data[2]
cur.execute(
"INSERT INTO e2recoil(depth, energy_ions, energy_absorbed) VALUES(?, ?, ?)",
[depth, energy_ions, energy_absorbed],
)
cur.close()
self.srim.commit()
def __process_file_fc(self, e2recoil_path: Path) -> None:
"""Processes `E2RECOIL.txt` file in Full-Calculation mode.
Parameters
----------
e2recoil_path : Path
`E2RECOIL.txt` path.
"""
energy_absorbed_1 = ", ".join(
f"energy_absorbed_{i}_{j} REAL"
for i, component in enumerate(self.srim.target)
for j in range(len(component.elements))
)
energy_absorbed_2 = ", ".join(
f"energy_absorbed_{i}_{j}"
for i, component in enumerate(self.srim.target)
for j in range(len(component.elements))
)
energy_absorbed_3 = ", ".join(
["?" for _ in range(len(energy_absorbed_1.split(", ")))]
)
cur = self.cursor()
cur.execute(
(
"CREATE TABLE e2recoil"
f"(depth REAL, energy_ions REAL, {energy_absorbed_1})"
)
)
with open(e2recoil_path, "r", encoding="utf-8") as file:
for line in file:
if line.startswith(" DEPTH"):
break
next(file)
next(file)
next(file)
for _ in range(100):
line = next(file)
data = list(map(float, line[:-1].split()))
depth = data[0]
energy_ions = data[1]
energy_absorbed = data[2:]
cur.execute(
(
f"INSERT INTO e2recoil(depth, energy_ions, {energy_absorbed_2})"
f"VALUES(?, ?, {energy_absorbed_3})"
),
[depth, energy_ions, *energy_absorbed],
)
cur.close()
self.srim.commit()