pychemstation 0.4.7.dev3__py3-none-any.whl → 0.5.0__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.
- .DS_Store +0 -0
- pychemstation/analysis/base_spectrum.py +509 -509
- pychemstation/analysis/spec_utils.py +304 -304
- pychemstation/control/__init__.py +2 -3
- pychemstation/control/comm.py +29 -130
- pychemstation/control/hplc.py +82 -605
- pychemstation/control/table/__init__.py +3 -0
- pychemstation/control/table/method.py +258 -0
- pychemstation/control/table/sequence.py +170 -0
- pychemstation/control/table/table_controller.py +137 -0
- pychemstation/utils/chromatogram.py +6 -5
- pychemstation/utils/macro.py +1 -0
- pychemstation/utils/method_types.py +4 -6
- pychemstation/utils/sequence_types.py +19 -5
- {pychemstation-0.4.7.dev3.dist-info → pychemstation-0.5.0.dist-info}/METADATA +14 -11
- pychemstation-0.5.0.dist-info/RECORD +40 -0
- {pychemstation-0.4.7.dev3.dist-info → pychemstation-0.5.0.dist-info}/top_level.txt +1 -0
- tests/__init__.py +0 -0
- tests/constants.py +12 -0
- tests/test_comm.py +66 -0
- tests/test_method.py +64 -0
- tests/test_sequence.py +102 -0
- pychemstation-0.4.7.dev3.dist-info/RECORD +0 -30
- {pychemstation-0.4.7.dev3.dist-info → pychemstation-0.5.0.dist-info}/LICENSE +0 -0
- {pychemstation-0.4.7.dev3.dist-info → pychemstation-0.5.0.dist-info}/WHEEL +0 -0
pychemstation/control/comm.py
CHANGED
@@ -1,5 +1,5 @@
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"""
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-
Module to provide API for the
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Module to provide API for the communication with Agilent HPLC systems.
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HPLCController sends commands to Chemstation software via a command file.
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Answers are received via reply file. On the Chemstation side, a custom
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Authors: Alexander Hammer, Hessam Mehr, Lucy Hao
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"""
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import logging
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import os
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import time
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import polling
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from ..utils.chromatogram import AgilentHPLCChromatogram
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from ..utils.constants import MAX_CMD_NO
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from ..utils.macro import *
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from ..utils.method_types import *
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class
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class CommunicationController:
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"""
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Class
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Class that communicates with Agilent using Macros
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"""
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def __init__(
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self,
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comm_dir: str,
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data_dir: str,
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cmd_file: str = "cmd",
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reply_file: str = "reply",
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):
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"""
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:param comm_dir: Name of directory for communication, where ChemStation will read and write from. Can be any existing directory.
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:param data_dir: Name of directory that ChemStation saves run data. Must be accessible by ChemStation.
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"""
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:param comm_dir:
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:param cmd_file: Name of command file
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:param reply_file: Name of reply file
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:raises FileNotFoundError: If either `data_dir`, `method_dir` or `comm_dir` is not a valid directory.
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"""
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if os.path.isdir(comm_dir):
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self.cmd_file = os.path.join(comm_dir, cmd_file)
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raise FileNotFoundError(f"comm_dir: {comm_dir} not found.")
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self._most_recent_hplc_status = None
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if os.path.isdir(data_dir):
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self.data_dir = data_dir
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else:
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raise FileNotFoundError(f"data_dir: {data_dir} not found.")
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self.spectra = {
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"A": AgilentHPLCChromatogram(self.data_dir),
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"B": AgilentHPLCChromatogram(self.data_dir),
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"C": AgilentHPLCChromatogram(self.data_dir),
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"D": AgilentHPLCChromatogram(self.data_dir),
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}
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self.data_files: list[str] = []
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self.internal_variables: list[dict[str, str]] = []
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# Create files for Chemstation to communicate with Python
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open(self.cmd_file, "a").close()
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open(self.reply_file, "a").close()
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self.logger = logging.getLogger("hplc_logger")
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self.logger.addHandler(logging.NullHandler())
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self.reset_cmd_counter()
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def get_status(self) -> list[Union[HPLCRunningStatus, HPLCAvailStatus, HPLCErrorStatus]]:
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"""Get device status(es).
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:return: list of ChemStation's current status
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"""
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self.send(Command.GET_STATUS_CMD)
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time.sleep(1)
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try:
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parsed_response = self.receive().splitlines()[1].split()[1:]
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recieved_status = [str_to_status(res) for res in parsed_response]
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self._most_recent_hplc_status = recieved_status[0]
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return recieved_status
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except IOError:
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return [HPLCErrorStatus.NORESPONSE]
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except IndexError:
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return [HPLCErrorStatus.MALFORMED]
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def
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def set_status(self):
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"""Updates current status of HPLC machine"""
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self._most_recent_hplc_status = self.
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self._most_recent_hplc_status = self.get_status()[0]
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def _check_data_status(self) -> bool:
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def _check_data_status(self, data_path: str) -> bool:
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"""Checks if HPLC machine is in an available state, meaning a state that data is not being written.
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:return: whether the HPLC machine is in a safe state to retrieve data back."""
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old_status = self._most_recent_hplc_status
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self.
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file_exists = os.path.exists(
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self.set_status()
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file_exists = os.path.exists(data_path)
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done_writing_data = isinstance(self._most_recent_hplc_status,
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HPLCAvailStatus) and old_status != self._most_recent_hplc_status and file_exists
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return done_writing_data
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def
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:param method: if you are running a method and want to read back data, the timeout period will be adjusted to be longer than the method's runtime
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:return: Return True if data can be read back, else False.
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"""
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self._set_status()
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timeout = 10 * 60
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hplc_run_done = polling.poll(
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lambda: self._check_data_status(),
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timeout=timeout,
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step=30
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)
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return hplc_run_done
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def get_spectrum(self):
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""" Load last chromatogram for any channel in spectra dictionary."""
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last_file = self.data_files[-1] if len(self.data_files) > 0 else None
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if last_file is None:
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raise IndexError
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for channel, spec in self.controller.spectra.items():
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spec.load_spectrum(data_path=last_file, channel=channel)
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self.logger.info("%s chromatogram loaded.", channel)
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def check_data(self, data_path: str) -> bool:
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return self._check_data_status(data_path)
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def _send(self, cmd: str, cmd_no: int, num_attempts=5) -> None:
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"""Low-level execution primitive. Sends a command string to HPLC.
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cmd_file.write(f"{cmd_no} {cmd}")
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except IOError as e:
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err = e
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self.logger.warning("Failed to send command; trying again.")
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continue
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else:
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self.logger.info("Sent command #%d: %s.", cmd_no, cmd)
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return
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else:
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raise IOError(f"Failed to send command #{cmd_no}: {cmd}.") from err
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response = reply_file.read()
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except OSError as e:
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err = e
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self.logger.warning("Failed to read from reply file; trying again.")
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continue
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try:
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response_no = int(first_line.split()[0])
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except IndexError as e:
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err = e
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self.logger.warning("Malformed response %s; trying again.", response)
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continue
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# check that response corresponds to sent command
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if response_no == cmd_no:
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self.logger.info("Reply: \n%s", response)
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return response
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else:
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self.logger.warning(
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"Response #: %d != command #: %d; trying again.",
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response_no,
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cmd_no,
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)
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continue
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else:
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raise IOError(f"Failed to receive reply to command #{cmd_no}.") from err
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self._receive(cmd_no=MAX_CMD_NO + 1)
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self.cmd_no = 0
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self.logger.debug("Reset command counter")
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def sleep(self, seconds: int):
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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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self.logger.debug("Sleep command sent.")
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def standby(self):
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"""Switches all modules in standby mode. All lamps and pumps are switched off."""
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self.send(Command.STANDBY_CMD)
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self.logger.debug("Standby command sent.")
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def preprun(self):
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""" Prepares all modules for run. All lamps and pumps are switched on."""
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self.send(Command.PREPRUN_CMD)
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self.logger.debug("PrepRun command sent.")
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def status(self) -> list[Union[HPLCRunningStatus, HPLCAvailStatus, HPLCErrorStatus]]:
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"""Get device status(es).
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:return: list of ChemStation's current status
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"""
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self.send(Command.GET_STATUS_CMD)
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time.sleep(1)
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try:
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parsed_response = self.receive().splitlines()[1].split()[1:]
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except IOError:
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return [HPLCErrorStatus.NORESPONSE]
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except IndexError:
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return [HPLCErrorStatus.MALFORMED]
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recieved_status = [str_to_status(res) for res in parsed_response]
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self._most_recent_hplc_status = recieved_status[0]
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return recieved_status
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def stop_macro(self):
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"""Stops Macro execution. Connection will be lost."""
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self.send(Command.STOP_MACRO_CMD)
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def lamp_on(self):
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"""Turns the UV lamp on."""
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self.send(Command.LAMP_ON_CMD)
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def lamp_off(self):
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"""Turns the UV lamp off."""
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self.send(Command.LAMP_OFF_CMD)
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def pump_on(self):
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"""Turns on the pump on."""
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self.send(Command.PUMP_ON_CMD)
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def pump_off(self):
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"""Turns the pump off."""
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self.send(Command.PUMP_OFF_CMD)
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