pychemstation 0.8.0__tar.gz → 0.8.2__tar.gz

{pychemstation-0.8.0 → pychemstation-0.8.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pychemstation
-Version: 0.8.0
+Version: 0.8.2
 Author-email: lucyhao <hao.lucyy@gmail.com>
 License-File: LICENSE
 Requires-Python: >=3.8

{pychemstation-0.8.0 → pychemstation-0.8.2}/pychemstation/control/controllers/tables/method.py

@@ -2,18 +2,22 @@ import os
 import time
 from typing import List
 
-from result import Result, Ok, Err
+from result import Err, Ok, Result
 from xsdata.formats.dataclass.parsers import XmlParser
 
-from .table import TableController
-from ..devices.injector import InjectorController
 from ....analysis.process_report import AgilentReport, ReportType
 from ....control.controllers import CommunicationController
-from ....generated import PumpMethod, DadMethod, SolventElement
-from ....utils.chromatogram import TIME_FORMAT, AgilentChannelChromatogramData, AgilentHPLCChromatogram
+from ....generated import DadMethod, PumpMethod, SolventElement
+from ....utils.chromatogram import (
+    TIME_FORMAT,
+    AgilentChannelChromatogramData,
+    AgilentHPLCChromatogram,
+)
 from ....utils.macro import *
 from ....utils.method_types import *
 from ....utils.table_types import *
+from ..devices.injector import InjectorController
+from .table import TableController
 
 
 class MethodController(TableController):
@@ -369,8 +373,8 @@ class MethodController(TableController):
 
     def get_report(self, custom_path: Optional[str] = None,
                    report_type: ReportType = ReportType.TXT) -> List[AgilentReport]:
-        metd_report = self.get_report_details(self.data_files[-1] if not custom_path else custom_path,
-                                              report_type)
+        custom_path = self.data_files[-1] if not custom_path else custom_path
+        metd_report = self.get_report_details(custom_path, report_type)
         chrom_data: List[AgilentHPLCChromatogram] = list(self.get_data(custom_path).__dict__.values())
         for i, signal in enumerate(metd_report.signals):
             possible_data = chrom_data[i]

{pychemstation-0.8.0 → pychemstation-0.8.2}/pychemstation/control/controllers/tables/table.py

@@ -262,10 +262,12 @@ class TableController(abc.ABC):
 
     def get_uv_spectrum(self, path: str):
         data_uv = rb.agilent.chemstation.parse_file(os.path.join(path, "DAD1.UV"))
-        zipped_data = zip(data_uv.ylabels, data_uv.data)
-        for (wavelength, data) in zipped_data:
-            self.uv[wavelength] = AgilentHPLCChromatogram()
-            self.uv[wavelength].attach_spectrum(data_uv.xlabels, data)
+        times = data_uv.xlabels
+        wavelengthes = data_uv.ylabels
+        data = data_uv.data.transpose()
+        for (i, w) in enumerate(wavelengthes):
+            self.uv[w] = AgilentHPLCChromatogram()
+            self.uv[w].attach_spectrum(times, data[i])
 
     def get_report_details(self, path: str,
                            report_type: ReportType = ReportType.TXT) -> AgilentReport:

{pychemstation-0.8.0 → pychemstation-0.8.2}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
 
 [project]
 name = "pychemstation"
-version = "0.8.0"
+version = "0.8.2"
 description = ""
 authors = [{ name = "lucyhao", email = "hao.lucyy@gmail.com" }]
 requires-python = ">=3.8"

{pychemstation-0.8.0 → pychemstation-0.8.2}/setup.py

@@ -5,7 +5,7 @@ with open("README.md", "r") as fh:
 
 setuptools.setup(
     name="pychemstation",
-    version="0.8.0",
+    version="0.8.2",
     author="Lucy Hao",
     author_email="lhao03@student.ubc.ca",
     description="Library to interact with Chemstation software, primarily used in Hein lab",