pychemstation 0.10.4__py3-none-any.whl → 0.10.6__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- pychemstation/analysis/__init__.py +8 -1
- pychemstation/analysis/chromatogram.py +20 -0
- pychemstation/analysis/process_report.py +125 -63
- pychemstation/control/__init__.py +2 -0
- pychemstation/control/controllers/__init__.py +2 -3
- pychemstation/control/controllers/abc_tables/device.py +15 -0
- pychemstation/control/controllers/abc_tables/run.py +228 -0
- pychemstation/control/controllers/abc_tables/table.py +221 -0
- pychemstation/control/controllers/comm.py +25 -106
- pychemstation/control/controllers/data_aq/__init__.py +4 -0
- pychemstation/control/controllers/{tables → data_aq}/method.py +52 -95
- pychemstation/control/controllers/{tables → data_aq}/sequence.py +199 -141
- pychemstation/control/controllers/devices/__init__.py +3 -0
- pychemstation/control/controllers/devices/injector.py +69 -24
- pychemstation/control/hplc.py +15 -17
- pychemstation/utils/injector_types.py +23 -3
- pychemstation/utils/macro.py +2 -2
- pychemstation/utils/method_types.py +1 -1
- pychemstation/utils/mocking/__init__.py +0 -0
- pychemstation/utils/mocking/abc_comm.py +160 -0
- pychemstation/utils/mocking/mock_comm.py +5 -0
- pychemstation/utils/mocking/mock_hplc.py +2 -0
- pychemstation/utils/sequence_types.py +19 -0
- pychemstation/utils/table_types.py +6 -0
- pychemstation/utils/tray_types.py +36 -1
- {pychemstation-0.10.4.dist-info → pychemstation-0.10.6.dist-info}/METADATA +4 -4
- pychemstation-0.10.6.dist-info/RECORD +42 -0
- pychemstation/control/controllers/devices/device.py +0 -49
- pychemstation/control/controllers/tables/ms.py +0 -24
- pychemstation/control/controllers/tables/table.py +0 -375
- pychemstation-0.10.4.dist-info/RECORD +0 -37
- /pychemstation/control/controllers/{tables → abc_tables}/__init__.py +0 -0
- {pychemstation-0.10.4.dist-info → pychemstation-0.10.6.dist-info}/WHEEL +0 -0
- {pychemstation-0.10.4.dist-info → pychemstation-0.10.6.dist-info}/licenses/LICENSE +0 -0
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"""
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Abstract module containing shared logic for Method and Sequence tables.
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Authors: Lucy Hao
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"""
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from __future__ import annotations
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import abc
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import math
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import os
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import time
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import warnings
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from typing import Dict, List, Optional, Tuple, Union
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import polling
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import rainbow as rb
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from result import Err, Result, Ok
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from ....analysis.process_report import (
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AgilentReport,
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CSVProcessor,
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ReportType,
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TXTProcessor,
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)
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from ....control.controllers.comm import CommunicationController
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from pychemstation.analysis.chromatogram import (
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AgilentChannelChromatogramData,
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AgilentHPLCChromatogram,
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)
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from ....utils.macro import Command, HPLCRunningStatus, Response
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from ....utils.method_types import MethodDetails
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from ....utils.sequence_types import SequenceTable
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from ....utils.table_types import RegisterFlag, T, Table, TableOperation
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TableType = Union[MethodDetails, SequenceTable]
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class TableController(abc.ABC):
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def __init__(
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self,
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controller: CommunicationController,
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src: Optional[str],
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data_dirs: Optional[List[str]],
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table: Table,
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offline: bool = False,
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):
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self.controller = controller
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self.table_locator = table
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self.table_state: Optional[TableType] = None
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self.curr_run_starting_time: Optional[float] = None
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self.timeout: Optional[float] = None
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if not offline:
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if src and not os.path.isdir(src):
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raise FileNotFoundError(f"dir: {src} not found.")
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for d in data_dirs:
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if not os.path.isdir(d):
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raise FileNotFoundError(f"dir: {d} not found.")
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if r"\\" in d:
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raise ValueError("Data directories should not be raw strings!")
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self.src: str = src
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self.data_dirs: List[str] = data_dirs
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self.spectra: dict[str, Optional[AgilentHPLCChromatogram]] = {
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"A": AgilentHPLCChromatogram(),
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"B": AgilentHPLCChromatogram(),
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"C": AgilentHPLCChromatogram(),
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"D": AgilentHPLCChromatogram(),
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"E": AgilentHPLCChromatogram(),
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"F": AgilentHPLCChromatogram(),
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"G": AgilentHPLCChromatogram(),
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"H": AgilentHPLCChromatogram(),
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}
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self.report: Optional[AgilentReport] = None
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self.uv: Dict[int, AgilentHPLCChromatogram] = {}
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self.data_files: List = []
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def receive(self) -> Result[Response, str]:
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for _ in range(10):
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try:
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return self.controller.receive()
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except IndexError:
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continue
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return Err("Could not parse response")
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def send(self, cmd: Union[Command, str]):
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if not self.controller:
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raise RuntimeError(
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"Communication controller must be initialized before sending command. It is currently in offline mode."
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)
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self.controller.send(cmd)
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def sleepy_send(self, cmd: Union[Command, str]):
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self.controller.sleepy_send(cmd)
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def sleep(self, seconds: int):
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"""
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Tells the HPLC to wait for a specified number of seconds.
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:param seconds: number of seconds to wait
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"""
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self.send(Command.SLEEP_CMD.value.format(seconds=seconds))
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def get_num(self, row: int, col_name: RegisterFlag) -> Union[int, float]:
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return self.controller.get_num_val(
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TableOperation.GET_ROW_VAL.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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row=row,
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col_name=col_name.value,
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)
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)
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def get_text(self, row: int, col_name: RegisterFlag) -> str:
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return self.controller.get_text_val(
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TableOperation.GET_ROW_TEXT.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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row=row,
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col_name=col_name.value,
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)
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)
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def add_new_col_num(self, col_name: RegisterFlag, val: Union[int, float]):
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self.sleepy_send(
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TableOperation.NEW_COL_VAL.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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col_name=col_name,
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val=val,
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)
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)
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def add_new_col_text(self, col_name: RegisterFlag, val: str):
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self.sleepy_send(
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TableOperation.NEW_COL_TEXT.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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col_name=col_name,
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val=val,
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)
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)
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def _edit_row_num(
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self, col_name: RegisterFlag, val: Union[int, float], row: Optional[int] = None
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):
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self.sleepy_send(
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TableOperation.EDIT_ROW_VAL.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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row=row if row is not None else "Rows",
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col_name=col_name,
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val=val,
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)
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)
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def _edit_row_text(
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self, col_name: RegisterFlag, val: str, row: Optional[int] = None
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):
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self.sleepy_send(
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TableOperation.EDIT_ROW_TEXT.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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row=row if row is not None else "Rows",
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col_name=col_name,
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val=val,
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)
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)
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@abc.abstractmethod
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def get_row(self, row: int):
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pass
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def delete_row(self, row: int):
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self.sleepy_send(
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TableOperation.DELETE_ROW.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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row=row,
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)
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)
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def add_row(self):
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"""
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Adds a row to the provided table for currently loaded method or sequence.
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"""
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self.sleepy_send(
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TableOperation.NEW_ROW.value.format(
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register=self.table_locator.register, table_name=self.table_locator.name
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)
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)
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def delete_table(self):
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"""
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Deletes the table for the current loaded method or sequence.
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"""
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self.sleepy_send(
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TableOperation.DELETE_TABLE.value.format(
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register=self.table_locator.register, table_name=self.table_locator.name
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)
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)
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def new_table(self):
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"""
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Creates the table for the currently loaded method or sequence.
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"""
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self.send(
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TableOperation.CREATE_TABLE.value.format(
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register=self.table_locator.register, table_name=self.table_locator.name
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)
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)
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def get_num_rows(self) -> Result[Response, str]:
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self.send(
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TableOperation.GET_NUM_ROWS.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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col_name=RegisterFlag.NUM_ROWS,
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)
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)
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self.send(
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Command.GET_ROWS_CMD.value.format(
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register=self.table_locator.register,
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table_name=self.table_locator.name,
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col_name=RegisterFlag.NUM_ROWS,
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)
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)
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res = self.controller.receive()
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if res.is_ok():
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self.send("Sleep 0.1")
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self.send("Print Rows")
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return res
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else:
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return Err("No rows could be read.")
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def check_hplc_is_running(self) -> bool:
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try:
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started_running = polling.poll(
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lambda: isinstance(self.controller.get_status(), HPLCRunningStatus),
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step=1,
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max_tries=20,
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)
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except Exception as e:
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print(e)
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return False
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if started_running:
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self.curr_run_starting_time = time.time()
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return started_running
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def check_hplc_run_finished(self) -> Tuple[float, bool]:
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done_running = self.controller.check_if_not_running()
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if self.curr_run_starting_time and self.timeout:
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time_passed = time.time() - self.curr_run_starting_time
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if time_passed > self.timeout:
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enough_time_passed = time_passed >= self.timeout
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run_finished = enough_time_passed and done_running
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if run_finished:
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self._reset_time()
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return 0, run_finished
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else:
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time_left = self.timeout - time_passed
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return time_left, self.controller.check_if_not_running()
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return 0, self.controller.check_if_not_running()
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def check_hplc_done_running(self) -> Ok[T] | Err[str]:
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"""
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Checks if ChemStation has finished running and can read data back
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:return: Data file object containing most recent run file information.
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"""
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finished_run = False
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minutes = math.ceil(self.timeout / 60)
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try:
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finished_run = not polling.poll(
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lambda: self.check_hplc_run_finished()[1],
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max_tries=minutes - 1,
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step=50,
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)
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except (
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polling.TimeoutException,
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polling.PollingException,
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polling.MaxCallException,
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):
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try:
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finished_run = polling.poll(
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lambda: self.check_hplc_run_finished()[1],
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timeout=self.timeout / 2,
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step=1,
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)
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except (
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polling.TimeoutException,
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polling.PollingException,
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polling.MaxCallException,
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):
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pass
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check_folder = self.fuzzy_match_most_recent_folder(self.data_files[-1])
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if check_folder.is_ok() and finished_run:
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return check_folder
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elif check_folder.is_ok():
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try:
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finished_run = polling.poll(
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lambda: self.check_hplc_run_finished()[1], max_tries=10, step=50
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)
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if finished_run:
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return check_folder
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except Exception:
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self._reset_time()
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return self.data_files[-1]
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return Err("Run did not complete as expected")
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@abc.abstractmethod
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def fuzzy_match_most_recent_folder(self, most_recent_folder: T) -> Result[T, str]:
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pass
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@abc.abstractmethod
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def get_data(
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self, custom_path: Optional[str] = None
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) -> Union[List[AgilentChannelChromatogramData], AgilentChannelChromatogramData]:
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pass
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@abc.abstractmethod
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def get_data_uv(
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self,
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) -> Union[
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List[Dict[str, AgilentHPLCChromatogram]], Dict[str, AgilentHPLCChromatogram]
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]:
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pass
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@abc.abstractmethod
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def get_report(
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self, report_type: ReportType = ReportType.TXT
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) -> List[AgilentReport]:
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pass
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def get_uv_spectrum(self, path: str):
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data_uv = rb.agilent.chemstation.parse_file(os.path.join(path, "DAD1.UV"))
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times = data_uv.xlabels
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wavelengths = data_uv.ylabels
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absorbances = data_uv.data.transpose()
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for i, w in enumerate(wavelengths):
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self.uv[w] = AgilentHPLCChromatogram()
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self.uv[w].attach_spectrum(times, absorbances[i])
|
347
|
-
|
348
|
-
def get_report_details(
|
349
|
-
self, path: str, report_type: ReportType = ReportType.TXT
|
350
|
-
) -> AgilentReport:
|
351
|
-
if report_type is ReportType.TXT:
|
352
|
-
txt_report = TXTProcessor(path).process_report()
|
353
|
-
if txt_report.is_ok():
|
354
|
-
self.report = txt_report.ok_value
|
355
|
-
if report_type is ReportType.CSV:
|
356
|
-
csv_report = CSVProcessor(path).process_report()
|
357
|
-
if csv_report.is_ok():
|
358
|
-
self.report = csv_report.ok_value
|
359
|
-
return self.report
|
360
|
-
|
361
|
-
def get_spectrum_at_channels(self, data_path: str):
|
362
|
-
"""
|
363
|
-
Load chromatogram for any channel in spectra dictionary.
|
364
|
-
"""
|
365
|
-
for channel, spec in self.spectra.items():
|
366
|
-
try:
|
367
|
-
spec.load_spectrum(data_path=data_path, channel=channel)
|
368
|
-
except FileNotFoundError:
|
369
|
-
self.spectra[channel] = AgilentHPLCChromatogram()
|
370
|
-
warning = f"No data at channel: {channel}"
|
371
|
-
warnings.warn(warning)
|
372
|
-
|
373
|
-
def _reset_time(self):
|
374
|
-
self.curr_run_starting_time = None
|
375
|
-
self.timeout = None
|
@@ -1,37 +0,0 @@
|
|
1
|
-
pychemstation/__init__.py,sha256=Sc4z8LRVFMwJUoc_DPVUriSXTZ6PO9MaJ80PhRbKyB8,34
|
2
|
-
pychemstation/analysis/__init__.py,sha256=dcX7OeHoKdyrECHRCSXgKZN81nOXSAmZRxXzRT0jpDc,126
|
3
|
-
pychemstation/analysis/base_spectrum.py,sha256=t_VoxAtBph1V7S4fOsziERHiOBkYP0_nH7LTwbTEvcE,16529
|
4
|
-
pychemstation/analysis/chromatogram.py,sha256=cBfLh58PrBZMg9-u5o_Q-FCuu3MlB0q0ZFm9_2uaciU,3270
|
5
|
-
pychemstation/analysis/process_report.py,sha256=mUBuMHFNNUa-dP0-OZse9XcDahMNX84cCz705Eg6T3A,12250
|
6
|
-
pychemstation/control/README.md,sha256=_7ITj4hD17YIwci6UY6xBebC9gPCBpzBFTB_Gx0eJBc,3124
|
7
|
-
pychemstation/control/__init__.py,sha256=uzfsVAGDhMP6SyV10KAH264ytDLMsMRZXRK5XhWS-rc,102
|
8
|
-
pychemstation/control/hplc.py,sha256=mV-IO-6wdzB7MuV5LcZYwb4yZibBgEKX2LtbJ9WiKNw,12304
|
9
|
-
pychemstation/control/controllers/README.md,sha256=S5cd4NJmPjs6TUH98BtPJJhiS1Lu-mxLCNS786ogOrQ,32
|
10
|
-
pychemstation/control/controllers/__init__.py,sha256=XXTKee3bQpDJ2EO0k-ekJoZuq1h6WeO_DsOafxkBgTo,247
|
11
|
-
pychemstation/control/controllers/comm.py,sha256=64VXS0C3BHTKCjuYCadmmxKWiVvMqtZebzyCOJifyUA,7994
|
12
|
-
pychemstation/control/controllers/devices/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
|
13
|
-
pychemstation/control/controllers/devices/device.py,sha256=XYOTehPYapL40GmcrtkRtdaZU2yvS4KwkLPRs9RB04U,1492
|
14
|
-
pychemstation/control/controllers/devices/injector.py,sha256=C8HOxV2s1jvgum57DQ-bRTbJmb644TmZmGybxEoNN3Y,2109
|
15
|
-
pychemstation/control/controllers/tables/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
|
16
|
-
pychemstation/control/controllers/tables/method.py,sha256=SDchncXgoFmzE9MLdVFTKs1-2Mx1EflG8pj5ALiq7Ck,19837
|
17
|
-
pychemstation/control/controllers/tables/ms.py,sha256=ywrSa60H_5de32jxL2U5n464dIS_NXCC1M89mSiq-fY,723
|
18
|
-
pychemstation/control/controllers/tables/sequence.py,sha256=SCLPj0c3kU9yApBGM7UbwzaJ5-NgRUj1SPZzSqV4f9Y,14175
|
19
|
-
pychemstation/control/controllers/tables/table.py,sha256=OGpCS_FKsvl1WNWWWk6ooX1TGNHrGroTjlGqNPE6YNM,12632
|
20
|
-
pychemstation/generated/__init__.py,sha256=xnEs0QTjeuGYO3tVUIy8GDo95GqTV1peEjosGckpOu0,977
|
21
|
-
pychemstation/generated/dad_method.py,sha256=xTUiSCvkXcxBUhjVm1YZKu-tHs16k23pF-0xYrQSwWA,8408
|
22
|
-
pychemstation/generated/pump_method.py,sha256=s3MckKDw2-nZUC5lHrJVvXYdneWP8-9UvblNuGryPHY,12092
|
23
|
-
pychemstation/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
|
24
|
-
pychemstation/utils/injector_types.py,sha256=PXwJK1uXs8hlQ6dWIEbAGfk2BpQJQmN3SlUbL4ntZz0,822
|
25
|
-
pychemstation/utils/macro.py,sha256=0Kd86_xDB_99R5qcnCpD-FEm1mdGuPMuCaFoYIUkfhc,2937
|
26
|
-
pychemstation/utils/method_types.py,sha256=dRf12UaWerqPkycFq4nNXZk6HnOKq0ZIyROIuKDKiSI,1639
|
27
|
-
pychemstation/utils/num_utils.py,sha256=dDs8sLZ_SdtvDKhyhF3IkljiVf16IYqpMTO5tEk9vMk,2079
|
28
|
-
pychemstation/utils/parsing.py,sha256=mzdpxrH5ux4-_i4CwZvnIYnIwAnRnOptKb3fZyYJcx0,9307
|
29
|
-
pychemstation/utils/pump_types.py,sha256=HWQHxscGn19NTrfYBwQRCO2VcYfwyko7YfBO5uDhEm4,93
|
30
|
-
pychemstation/utils/sequence_types.py,sha256=T0IP2iMqorUrdzH4at9Vsmmb3SCAEmN4z1cUlFaeTXw,1089
|
31
|
-
pychemstation/utils/spec_utils.py,sha256=lS27Xi4mFNDWBfmBqOoxTcVchPAkLK2mSdoaWDOfaPI,10211
|
32
|
-
pychemstation/utils/table_types.py,sha256=inOVpwSsic31VdVdJkfuq35QfKd7PoNoXY1QnOxZ6Sw,3235
|
33
|
-
pychemstation/utils/tray_types.py,sha256=9yLRIBn3IPVMbhrFqJQJ5gCQJI7H9DD2cdIFQDp2-8k,5184
|
34
|
-
pychemstation-0.10.4.dist-info/METADATA,sha256=yXiZCbNWNQmNV4FN1cyMTBRkFtjIzll3KAJE1XnOVTE,5875
|
35
|
-
pychemstation-0.10.4.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
|
36
|
-
pychemstation-0.10.4.dist-info/licenses/LICENSE,sha256=9bdF75gIf1MecZ7oymqWgJREVz7McXPG-mjqrTmzzD8,18658
|
37
|
-
pychemstation-0.10.4.dist-info/RECORD,,
|
File without changes
|
File without changes
|
File without changes
|