pychemstation 0.10.3__tar.gz → 0.10.5__tar.gz

{pychemstation-0.10.3 → pychemstation-0.10.5}/.gitignore

@@ -4,4 +4,6 @@
 .venv
 **/__pycache__/
 target
-.DS_Store
+.DS_Store
+env
+venv

pychemstation-0.10.5/.pre-commit-config.yaml

@@ -0,0 +1,14 @@
+repos:
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  # Ruff version.
+  rev: v0.11.2
+  hooks:
+    # Run the linter.
+    - id: ruff
+      args: [ --fix ]
+    # Run the formatter.
+    - id: ruff-format
+- repo: https://github.com/pre-commit/mirrors-mypy
+  rev: v1.15.0
+  hooks:
+    - id: mypy

{pychemstation-0.10.3 → pychemstation-0.10.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pychemstation
-Version: 0.10.3
+Version: 0.10.5
 Summary: Library to interact with Chemstation software, primarily used in Hein lab
 Project-URL: Documentation, https://pychemstation-e5a086.gitlab.io/pychemstation.html
 Project-URL: Repository, https://gitlab.com/heingroup/device-api/pychemstation
@@ -12,12 +12,13 @@ Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
 Classifier: Programming Language :: Python :: 3.12
 Requires-Python: >=3.10
-Requires-Dist: aghplctools>=4.8.8
+Requires-Dist: aghplctools==4.8.6
 Requires-Dist: coverage>=7.6.1
 Requires-Dist: matplotlib>=3.7.5
 Requires-Dist: pandas>=2.0.3
 Requires-Dist: pdoc>=14.7.0
 Requires-Dist: polling>=0.3.2
+Requires-Dist: pre-commit>=4.2.0
 Requires-Dist: pytest>=7.3.5
 Requires-Dist: rainbow-api>=1.0.10
 Requires-Dist: result>=0.17.0
@@ -34,8 +35,8 @@ Description-Content-Type: text/markdown
 
 [![PyPI Latest Release](https://img.shields.io/pypi/v/pychemstation.svg)](https://pypi.org/project/pychemstation/)
 
-> **_NOTE:_** If you are running Python **3.8**, use versions 0.**8**.x. If you are running Python **>=3.10**, use
-> version 0.**10**.x. You are welcome to use newer pychemstation versions with older Python versions, but functionality
+> **_NOTE:_** If you are running Python **3.8**, use versions 0.**8**.x. If you are running Python **3.9** use versions 0.**9**.x.
+> If you are running Python **>=3.10**, use version 0.**10**.x. You are welcome to use newer pychemstation versions with older Python versions, but functionality
 > is not guaranteed!
 
 Unofficial Python package to control Agilent Chemstation; we are not affiliated with Agilent.

{pychemstation-0.10.3 → pychemstation-0.10.5}/README.md

@@ -4,8 +4,8 @@
 
 [![PyPI Latest Release](https://img.shields.io/pypi/v/pychemstation.svg)](https://pypi.org/project/pychemstation/)
 
-> **_NOTE:_** If you are running Python **3.8**, use versions 0.**8**.x. If you are running Python **>=3.10**, use
-> version 0.**10**.x. You are welcome to use newer pychemstation versions with older Python versions, but functionality
+> **_NOTE:_** If you are running Python **3.8**, use versions 0.**8**.x. If you are running Python **3.9** use versions 0.**9**.x.
+> If you are running Python **>=3.10**, use version 0.**10**.x. You are welcome to use newer pychemstation versions with older Python versions, but functionality
 > is not guaranteed!
 
 Unofficial Python package to control Agilent Chemstation; we are not affiliated with Agilent.

pychemstation-0.10.5/out.txt

@@ -0,0 +1,377 @@
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+response$ = _MethFile$
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "Time")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PumpChannel2_CompositionPercentage")
+response_num = ObjHdrVal("RCPMP1Method[1]", "Flow")
+response_num = ObjHdrVal("RCPMP1Method[1]", "StopTime_Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PostTime_Time")
+SetObjHdrVal RCPMP1Method[1], Flow, 0.4
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrText RCPMP1Method[1], PostTime_Mode, Set
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], PostTime_Time, 4
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrText RCPMP1Method[1], StopTime_Mode, Set
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], StopTime_Time, 14
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], PumpChannel2_CompositionPercentage, 22
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+response$ = _MethFile$
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "Time")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PumpChannel2_CompositionPercentage")
+response_num = ObjHdrVal("RCPMP1Method[1]", "Flow")
+response_num = ObjHdrVal("RCPMP1Method[1]", "StopTime_Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PostTime_Time")
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Sleep 0.1
+DelTab RCPMP1Method[1], "Timetable"
+Sleep 0.1
+SetObjHdrVal RCPMP1Method[1], PumpChannel2_CompositionPercentage, 5.0
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], Flow, 0.65
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrText RCPMP1Method[1], StopTime_Mode, Set
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], StopTime_Time, 4.0
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrText RCPMP1Method[1], PostTime_Mode, Set
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], PostTime_Time, 1.0
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+DelTab RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+NewTab RCPMP1Method[1], "Timetable"
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+InsTabRow RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Sleep 0.1
+NewColText RCPMP1Method[1], "Timetable", "Function", "SolventComposition"
+Sleep 0.1
+Sleep 0.1
+NewColVal RCPMP1Method[1], "Timetable", "Time", 3.5
+Sleep 0.1
+Sleep 0.1
+NewColVal RCPMP1Method[1], "Timetable", "SolventCompositionPumpChannel2_Percentage", 100.0
+Sleep 0.1
+Sleep 0.1
+InsTabRow RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+SetTabText "RCPMP1Method[1]", "Timetable", Rows, "Function", "Flow"
+Sleep 0.1
+Sleep 0.1
+NewColVal RCPMP1Method[1], "Timetable", "FlowFlow", 0.65
+Sleep 0.1
+Sleep 0.1
+SetTabVal "RCPMP1Method[1]", "Timetable", Rows, "FlowFlow", 0.65
+Sleep 0.1
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+response$ = _MethFile$
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "Time")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PumpChannel2_CompositionPercentage")
+response_num = ObjHdrVal("RCPMP1Method[1]", "Flow")
+response_num = ObjHdrVal("RCPMP1Method[1]", "StopTime_Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PostTime_Time")
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+DelTab RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+NewTab RCPMP1Method[1], "Timetable"
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+InsTabRow RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Sleep 0.1
+NewColText RCPMP1Method[1], "Timetable", "Function", "SolventComposition"
+Sleep 0.1
+Sleep 0.1
+NewColVal RCPMP1Method[1], "Timetable", "Time", 5
+Sleep 0.1
+Sleep 0.1
+NewColVal RCPMP1Method[1], "Timetable", "SolventCompositionPumpChannel2_Percentage", 22
+Sleep 0.1
+Sleep 0.1
+InsTabRow RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+SetTabText "RCPMP1Method[1]", "Timetable", Rows, "Function", "Flow"
+Sleep 0.1
+Sleep 0.1
+NewColVal RCPMP1Method[1], "Timetable", "FlowFlow", 0.2
+Sleep 0.1
+Sleep 0.1
+SetTabVal "RCPMP1Method[1]", "Timetable", Rows, "FlowFlow", 0.2
+Sleep 0.1
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Sleep 0.1
+InsTabRow RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+SetTabText "RCPMP1Method[1]", "Timetable", Rows, "Function", "SolventComposition"
+Sleep 0.1
+Sleep 0.1
+SetTabVal "RCPMP1Method[1]", "Timetable", Rows, "Time", 10
+Sleep 0.1
+Sleep 0.1
+SetTabVal "RCPMP1Method[1]", "Timetable", Rows, "SolventCompositionPumpChannel2_Percentage", 78
+Sleep 0.1
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Sleep 0.1
+InsTabRow RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+SetTabText "RCPMP1Method[1]", "Timetable", Rows, "Function", "Flow"
+Sleep 0.1
+Sleep 0.1
+SetTabVal "RCPMP1Method[1]", "Timetable", Rows, "FlowFlow", 0.8
+Sleep 0.1
+Sleep 0.1
+SetTabVal "RCPMP1Method[1]", "Timetable", Rows, "Time", 10
+Sleep 0.1
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+response$ = _MethFile$
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 1, "Time")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 2, "Time")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 3, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 3, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 3, "Time")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 4, "FlowFlow")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 4, "SolventCompositionPumpChannel2_Percentage")
+response_num = TabVal("RCPMP1Method[1]", "Timetable", 4, "Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PumpChannel2_CompositionPercentage")
+response_num = ObjHdrVal("RCPMP1Method[1]", "Flow")
+response_num = ObjHdrVal("RCPMP1Method[1]", "StopTime_Time")
+response_num = ObjHdrVal("RCPMP1Method[1]", "PostTime_Time")
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Sleep 0.1
+DelTab RCPMP1Method[1], "Timetable"
+Sleep 0.1
+SetObjHdrVal RCPMP1Method[1], PumpChannel2_CompositionPercentage, 5.0
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], Flow, 0.65
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrText RCPMP1Method[1], StopTime_Mode, Set
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], StopTime_Time, 4.0
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrText RCPMP1Method[1], PostTime_Mode, Set
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+SetObjHdrVal RCPMP1Method[1], PostTime_Time, 1.0
+Sleep 1
+Sleep 0.1
+DownloadRCMethod PMP1
+Sleep 0.1
+Sleep 1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Sleep 0.1
+Print Rows
+Sleep 0.1
+DelTab RCPMP1Method[1], "Timetable"
+Sleep 0.1
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+Local Rows
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+SaveSequence _SeqPath$, _SeqFile$
+SaveMethod _MethPath$, _MethFile$, "method saved by pychemstation"
+LoadMethod "D:\Chemstation\1\Methods\", "GENERAL-POROSHELL-OPT.M"
+response$ = _MethFile$
+Rows = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")
+response_num = TabHdrVal(RCPMP1Method[1], "Timetable", "NumberOfRows")

{pychemstation-0.10.3/build/lib → pychemstation-0.10.5}/pychemstation/__init__.py

@@ -1,3 +1,3 @@
 """
 .. include:: ../README.md
-"""
+"""

pychemstation-0.10.5/pychemstation/analysis/__init__.py

@@ -0,0 +1,4 @@
+from .process_report import CSVProcessor
+from .process_report import TXTProcessor
+
+__all__ = ["CSVProcessor", "TXTProcessor"]

{pychemstation-0.10.3/build/lib → pychemstation-0.10.5}/pychemstation/analysis/base_spectrum.py

@@ -197,10 +197,10 @@ class AbstractSpectrum(ABC):
             return (self.x.copy()[full_mask], self.y.copy()[full_mask])
 
     def show_spectrum(
-            self,
-            filename=None,
-            title=None,
-            label=None,
+        self,
+        filename=None,
+        title=None,
+        label=None,
     ):
         """Plots the spectral data using matplotlib.pyplot module.
 
@@ -249,7 +249,7 @@ class AbstractSpectrum(ABC):
             os.makedirs(path, exist_ok=True)
             fig.savefig(os.path.join(path, f"{filename}.png"), dpi=150)
 
-    def find_peaks(self, threshold=1, min_width=.1, min_dist=None, area=None):
+    def find_peaks(self, threshold=1, min_width=0.1, min_dist=None, area=None):
         """Finds all peaks above the threshold with at least min_width width.
 
         Args:
@@ -385,12 +385,12 @@ class AbstractSpectrum(ABC):
 
         if rule == "trapz":
             return integrate.trapz(
-                self.y[left_idx: right_idx + 1], self.x[left_idx: right_idx + 1]
+                self.y[left_idx : right_idx + 1], self.x[left_idx : right_idx + 1]
             )
 
         elif rule == "simps":
             return integrate.simps(
-                self.y[left_idx: right_idx + 1], self.x[left_idx: right_idx + 1]
+                self.y[left_idx : right_idx + 1], self.x[left_idx : right_idx + 1]
             )
 
         else:

{pychemstation-0.10.3/pychemstation/utils → pychemstation-0.10.5/pychemstation/analysis}/chromatogram.py

@@ -3,11 +3,13 @@
 import os
 import time
 from dataclasses import dataclass
+from typing import Dict
 
 import numpy as np
 
-from ..analysis import AbstractSpectrum
-from .parsing import CHFile
+
+from ..utils.parsing import CHFile
+from ..analysis.base_spectrum import AbstractSpectrum
 
 ACQUISITION_PARAMETERS = "acq.txt"
 
@@ -36,12 +38,11 @@ class AgilentHPLCChromatogram(AbstractSpectrum):
     }
 
     def __init__(self, path=None, autosaving=False):
-
         if path is not None:
             os.makedirs(path, exist_ok=True)
             self.path = path
         else:
-            self.path = os.path.join(".", "hplc_data")
+            self.path = os.path.join("../utils", "hplc_data")
             os.makedirs(self.path, exist_ok=True)
 
         super().__init__(path=path, autosaving=autosaving)
@@ -114,3 +115,22 @@ class AgilentChannelChromatogramData:
     F: AgilentHPLCChromatogram
     G: AgilentHPLCChromatogram
     H: AgilentHPLCChromatogram
+
+    @classmethod
+    def from_dict(cls, chroms: Dict[str, AgilentHPLCChromatogram]):
+        keys = chroms.keys()
+        class_keys = vars(AgilentChannelChromatogramData)["__annotations__"].keys()
+        if set(class_keys) == set(keys):
+            return AgilentChannelChromatogramData(
+                A=chroms["A"],
+                B=chroms["B"],
+                C=chroms["C"],
+                D=chroms["D"],
+                E=chroms["E"],
+                F=chroms["F"],
+                G=chroms["G"],
+                H=chroms["H"],
+            )
+        else:
+            err = f"{keys} don't match {class_keys}"
+            raise KeyError(err)