"""This module contains the `Range` class."""
from pathlib import Path
from irradiapy.srim.srimfile import SRIMFile
[docs]
class Range(SRIMFile):
"""Class to handle `RANGE.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, range_path: Path) -> None:
"""Processes `RANGE.txt` file in Quick-Calculation mode.
Parameters
----------
range_path : Path
`RANGE.txt` path.
"""
cur = self.cursor()
cur.execute(
(
"CREATE TABLE range"
"(depth REAL,"
"ions REAL,"
"recoil_distribution REAL)"
)
)
with open(range_path, "r", encoding="utf-8") as file:
for line in file:
if line.startswith(" DEPTH"):
break
next(file)
next(file)
for _ in range(100):
line = next(file).replace(",", ".")
data = list(map(float, line[:-1].split()))
depth = data[0]
ions = data[1]
recoil_distribution = data[2]
cur.execute(
(
"INSERT INTO range(depth, ions, recoil_distribution)"
"VALUES(?, ?, ?)"
),
[depth, ions, recoil_distribution],
)
cur.close()
self.srim.commit()
def __process_file_fc(self, range_path: Path) -> None:
"""Processes `RANGE.txt` file in Full-Calculation mode.
Parameters
----------
range_path : Path
`RANGE.txt` path.
"""
target_atoms_1 = ", ".join(
f"tgt_atoms_{i}_{j} REAL"
for i, component in enumerate(self.srim.target)
for j in range(len(component.elements))
)
target_atoms_2 = ", ".join(
f"tgt_atoms_{i}_{j}"
for i, component in enumerate(self.srim.target)
for j in range(len(component.elements))
)
target_atoms_3 = ", ".join(
["?" for _ in range(len(target_atoms_1.split(", ")))]
)
cur = self.cursor()
cur.execute(
("CREATE TABLE range" "(depth REAL," "ions REAL," f"{target_atoms_1})")
)
with open(range_path, "r", encoding="utf-8") as file:
for line in file:
if line.startswith(" DEPTH"):
break
next(file)
next(file)
for _ in range(100):
line = next(file)
data = list(map(float, line[:-1].split()))
depth = data[0]
ions = data[1]
tgt_atoms = data[2:]
cur.execute(
(
f"INSERT INTO range(depth, ions, {target_atoms_2})"
f"VALUES(?, ?, {target_atoms_3})"
),
[depth, ions, *tgt_atoms],
)
cur.close()
self.srim.commit()