Desiderata for Diamond Age

• Files:
  • Loading molecule (atomic position) files in various formats [pdb, mmp]
  • Saving to various formats [mmp]
    • as single file [*]
    • as multiple files
  • Managing project directories and libraries
  • Producing pictures, movies [ppm]
• File structure:
  • Atoms [*]
  • Bonds [*]
  • Parts/molecule hierarchy [1]
  • Jigs
    • Shapes
    • Motors [1]
    • Springs
    • Dashpots
    • Constraints [1]
    • Heatsinks
  • Instrumentation
    • Position, velocity readouts
    • Thermometers
    • Dynamometers
    • Other force, energy readouts
  • Movie files
    • video [1]
    • trajectory
• Display:
  • Multiple assemblies [*]
  • Multiple views per assembly
  • Measurement
    • Grids [2]
    • Rulers
    • Dividers
    • Parallels
    • Pantographs
    • Envelopes
  • Representations
    • Invisible [*]
    • bond-lines [*]
    • CPK [*]
    • van der Waals [*]
    • Lozenge
    • Open bonds
    • Bounded continuum
    • Surface types
    • Structural
    • Diagrammatic
  • Variation of Representation
    • Hierarchical [3]
    • Zoned [.5]
    • Structure-dependent
  • Manipulation
    • Viewpoint
      • Trackball [*]
      • Pan [*]
      • Zoom [*]
      • predefined orientations [*]
    • Selection
      • All [2]
      • None [*]
      • Invert [2]
      • Connected [*]
      • Doubly Connected [*]
      • By pointing [2]
      • By circling [1]
    • Motion of selection
      • Trackball [*]
      • XYZ [*]
  • Info displays (status line, etc)
    • Indicator for invisible selection
    • Other selection status
    • Forces, stiffnesses, thermal postional uncertainty
    • Atom type, bonding
  • Side view
    • clipping planes
    • Cookie-cutter sheet surfaces
    • Point of view
  • Hardware
    • Joystick
    • Spaceball
    • Dataglove
    • Haptic manipulator
    • Stereo view
    • Multiple monitors
• Structural manipulation
  • Edit as tree structure
    • With copying
    • With reference
    • With parametrization
    • With analogical quadrature
  • Undo
  • Selection
    • Separate [*]
    • Merge
    • Unbond
    • Bond
    • Delete [*]
    • Duplicate [*]
  • Creating Structure
    • Cutting out shapes [*]
    • Filling CSG shapes
    • Welding existing structure
    • Structure-shape interaction
    • Creating/modifying motors and instruments [2]
    • Creating/modifying shapes as jigs
  • Deposition
    • Atom-by atom
    • Spray
    • Passivation by transmutation [*]
  • Multiple application
    • Copy-Move-Bond
    • iterative (crystal lattice)
    • Symmetrical
      • Bilateral
      • Radial
      • Cylindrical
    • Recursive (L-systems)
    • Macros
      • Keyboard
      • Scripts
  • Minimization
    • Free
    • With applied forces
    • With motion constraints
• Libraries
  • Ontology
  • Parametrization
  • Substructures (Kaehler brackets)
  • Parts
  • Higher-level structures
  • Automatic parts selection
• Analysis
  • Static
    • Stiffness
    • Thermal variation
    • PES mapping
    • Configuration space
  • Dynamic
    • Molecular dynamics [*]
    • Kinematic trajectory
    • Multi-level simulation
      • Ab initio
      • Density functional
      • Charge semi-empirical
      • Bond mechanics [*] Reduced hydrogen model
      • Bounded Continuum
      • Finite element
      • Rigid parts
      • Schematic
  • Control inputs for tests
    • Real-time manual
    • Signal trace (Line Graphs)
    • Scripts
  • Output for instruments
    • Real-time meters, graphics
    • Signal trace (Line Graphs)
    • Statistical Summaries
• Program organization
  • Stand-alone
  • Client-server
  • Interoperability
  • Scripting
  • Plug-ins
  • Collaborative design assistance