SimStack II Documentation

Contents:

• Overview
  • SimStack II
    • Key features
    • Roadmap
  • Motivation
    • Bridging developers and users
    • Design goals
  • Simstack Architecture
• Workflows
  • From Python to Workflows
    • Return Types
    • The Noderunner Helper Class
    • Node Decorator Arguments
  • Node Execution
    • Remote Execution
    • Registering Models and Nodes
    • Most Common Errors & Problems
• Graphical User Interface
  • Dashboard
  • Viewing Task Details
  • Submitting New Workflows
    • Node Selector
    • Parameter Settings
    • Model Input Section
  • Health Dashboard
  • Data Visualization
  • Data Tables
  • User Account Management
  • Tips for Effective Use
    • Exposing Workflows in the GUI
  • Concept
  • Customizing Simstack Models
• Developer Guide
  • Persisting and Visualizing Data
    • Model Definitions
    • Advanced Tools
  • Datasets
    • DataSet
    • Metadata
    • DataSetSection
    • DataSetSelection
    • API Reference
  • List Mixins
    • GenericListMixin
    • ObjectListMixin
    • Concrete Implementations
  • Array Lists
    • ArrayStorage
    • ArrayList
    • API Reference
  • Tables
    • SimpleTable
    • API Reference
  • File Management
    • FileStack
    • FileList and FileListModel
    • API Reference
    • External and Internal Files and Resources
    • Input Data
    • Output Data
  • Program Execution
    • ResourceConfig Class
    • Config.toml Structure
  • MassRunner
    • MassRunner
    • Key Features
    • Usage
    • Detailed Flow in MassRunner Tests
    • Logging and Metadata
  • FireAndForgetRunner
    • FireAndForgetRunner
    • Key Features
    • Usage
    • FireAndForgetResult Model
    • Comparison with MassRunner
  • Creating Docker Containers for SimStack Nodes
    • Mechanism Overview
    • Example: Psi4 Node
    • Key Components for Containerization
  • Testing Complex Nodes
    • Overview
    • Test Generation (generate_test.py)
    • Testing with Patches (testing_test_generation.py)
    • Benefits
  • Database Migrations
    • Add One
    • Example 1: Add Field - ResourceDefinition.is_enabled
    • Example 2: Edit Field - QMInput.print_level Enum Rewrite
    • Example 3: Delete Field - QMInput.name
    • Example 4: Edit Embedded Model - FileList to References
  • CI Pipeline and Documentation Artifacts
    • Where the HTML documentation lives
    • How the CI job updates docs
    • How other projects should consume docs
  • Miscellaneous
    • BUGS:
    • References
    • Customizing Simstack Models
• Simstack II Setup
  • UI Setup
    • Example resources configuration
  • Installation of Runners
    • Prerequisites
    • Clone the repository
    • Host-specific environment notes
    • Sync dependencies
    • Create simstack.toml
    • Initialize the system
    • Configure Git identity (required)
    • Start the runner
  • Ignore after this line
• simstack
  • simstack package
    • Subpackages
    • Module contents

Indices and tables

• Index

• Module Index

• Search Page