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ReacNetGenerator ReacNetGenerator

ReacNetGenerator

  • GitHub
  • Paper
  • User Guide
    • Installation
    • Supported trajectory formats
    • Analysis
    • Generated files
    • GUI version
    • FAQ
    • Build ReacNetGenerator
    • Enable HMM filter
    • Command line interface
    • Python interface
  • Examples
    • Tutorial: Installation
    • Tutorial: Analysis
    • Simulation of the oxidation of methane
    • The thermal decomposition of CL-20 (C6H6N12O12)
    • Publications driven by ReacNetGenerator
  • Development
    • Python API
      • reacnetgenerator package
  • More
    • References
    • ReacNetGenerator paper
    • Accepted manuscript
    • GitHub
    • Research group
    • Jinzhe Zeng
  • .rst

Python API

Python API#

  • reacnetgenerator package
    • References
    • ReacNetGenerator
    • Submodules
    • reacnetgenerator.commandline module
      • main_parser()
      • parm2cmd()
    • reacnetgenerator.dps module
      • dps()
      • dps_reaction()
    • reacnetgenerator.gui module
      • GUI
        • GUI.gui()
        • GUI.root
      • gui()
    • reacnetgenerator.reacnetgen module
    • reacnetgenerator.tools module
      • calculate_rate()
      • read_reactions()
      • read_species()
    • reacnetgenerator.utils module
      • SCOUROPTIONS
        • SCOUROPTIONS.enable_viewboxing
        • SCOUROPTIONS.newlines
        • SCOUROPTIONS.remove_descriptions
        • SCOUROPTIONS.remove_descriptive_elements
        • SCOUROPTIONS.remove_metadata
        • SCOUROPTIONS.remove_titles
        • SCOUROPTIONS.shorten_ids
        • SCOUROPTIONS.strip_comments
        • SCOUROPTIONS.strip_ids
        • SCOUROPTIONS.strip_xml_prolog
        • SCOUROPTIONS.strip_xml_space_attribute
      • SharedRNGData
        • SharedRNGData.returnkeys()
      • WriteBuffer
        • WriteBuffer.append()
        • WriteBuffer.buff
        • WriteBuffer.check()
        • WriteBuffer.extend()
        • WriteBuffer.flush()
      • appendIfNotNone()
      • bytestolist()
      • check_zero_signal()
      • checksha256()
      • compress()
      • decompress()
      • download_file()
      • download_multifiles()
      • gather_download_files()
      • idx_to_signal()
      • listtobytes()
      • listtostirng()
      • multiopen()
      • must_be_list()
      • produce()
      • read_compressed_block()
      • run_mp()
    • reacnetgenerator.utils_np module

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reacnetgenerator package

By Jinzhe Zeng

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