"""This module contains the `Backscat` class."""
from pathlib import Path
from typing import TYPE_CHECKING, Generator
from irradiapy.srim.ofiles.srimfile import SRIMFile
if TYPE_CHECKING:
from irradiapy.srim.srimdb import SRIMDB
[docs]
class Backscat(SRIMFile):
"""Class to handle `BACKSCAT.txt` file."""
[docs]
def process_file(self, backscat_path: Path) -> None:
"""Processes `BACKSCAT.txt` file.
Parameters
----------
backscat_path : Path
`BACKSCAT.txt` path.
"""
cur = self.cursor()
cur.execute(
(
"CREATE TABLE backscat"
"(ion_numb INTEGER, atom_numb INTEGER, energy REAL,"
"depth REAL, y REAL, z REAL, cosx REAL, cosy REAL, cosz REAL)"
)
)
with open(backscat_path, "r", encoding="utf-8") as file:
for line in file:
if line.startswith(" Numb"):
break
cur = self.cursor()
for line in file:
line = line[1:-2]
data = line[:-1].split()
ion_numb, atom_numb, energy = int(data[0]), int(data[1]), float(data[2])
depth, y, z = -float(data[4]), float(data[5]), float(data[6])
cosx, cosy, cosz = float(data[7]), float(data[8]), float(data[9])
cur.execute(
(
"INSERT INTO backscat"
"(ion_numb, atom_numb, energy, depth, y, z, cosx, cosy, cosz)"
"VALUES(?, ?, ?, ?, ?, ?, ?, ?, ?)"
),
[ion_numb, atom_numb, energy, depth, y, z, cosx, cosy, cosz],
)
cur.close()
self.srim.commit()
[docs]
def read(
self, what: str = "*", condition: str = ""
) -> Generator[tuple, None, None]:
"""Reads backsact 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 backscat {condition}")
while True:
data = cur.fetchone()
if data:
yield data
else:
break
cur.close()
[docs]
def get_nions(self) -> int:
"""Returns the number of ions in the database.
Returns
-------
int
Number of ions.
"""
cur = self.cursor()
cur.execute("SELECT COUNT(1) FROM backscat")
nions = cur.fetchone()[0]
cur.close()
return nions
[docs]
def merge(self, srimdb2: "SRIMDB") -> None:
"""Merges the backscat table with another database.
Parameters
----------
srimdb2 : SRIMDB
SRIM database to merge.
"""
nions = self.srim.backscat.get_nions()
cur = self.cursor()
cur.execute(f"ATTACH DATABASE '{srimdb2.db_path}' AS srimdb2")
cur.execute(
(
"INSERT INTO backscat"
"(ion_numb, atom_numb, energy, depth, y, z, cosx, cosy, cosz)"
"SELECT ion_numb + ?, atom_numb, energy, depth, y, z, cosx, "
"cosy, cosz FROM srimdb2.backscat"
),
(nions,),
)
self.srim.commit()
cur.execute("DETACH DATABASE srimdb2")
cur.close()