Index

3D data
Using ChemLattice3

actions
The Action Methods

addChangeCallback()
Using Callback Methods

addChild()
Managing the Child Nodes

addDeselectionCallback()
Using Callback Methods

addFinishCallback()
Using Callback Methods

addLassoFinishCallback()
Using Callback Methods

addLassoStartCallback()
Using Callback Methods

addSelectionCallback()
Using Callback Methods

addStartCallback()
Using Callback Methods

afterPrintCB()
Printing A Scene Graph

antiAlias
antiAlias Settings

ASCII
Creating an ASCII Version of an Inventor Scene Graph

associatedData
Maintaining Additional Information About a Chemical System
Maintaining Data

atmospheric effect
fog
Atmospheric Effects
Atmospheric Effects
haze
Atmospheric Effects
Atmospheric Effects
smoke
Atmospheric Effects

atom
color of
Coloring Atoms
highlighting
Highlighting Selected Items
label
Atom Labels
label color
Coloring Atom Labels
radii
Controlling the Atom Radii
scaling radii
Specifying the Radii of Atoms
sphere style
Atoms As Spheres

atom label, color of
Specifying the Chemical System Data to Render
Controlling the Color of Atoms, Bonds, and Labels

atom, color of
Controlling the Color of Atoms, Bonds, and Labels

atomColor
Controlling the Color of Atoms, Bonds, and Labels

atomColorBinding
Coloring Atoms

atomCoordinates
Declaring the Class and Its Data Members

atomicNumber
Declaring the Class and Its Data Members

atomId
Declaring the Class and Its Data Members

atomIndex
Declaring the Class and Its Data Members
Specifying the Chemical System Data to Render
Rendering the Chemical System Data

atomLabelBinding
Coloring Atom Labels

atomLabelColor
Controlling the Color of Atoms, Bonds, and Labels

atomLabelIndex
Specifying the Chemical System Data to Render
Rendering the Chemical System Data
Atom Labels

atomLabelLassoPolicy
Lasso Policy Settings

atomLabelLeftRightJustification
Atom Labels

atomLabelString
Atom Labels

atomLabelTopBottomJustification
Atom Labels

atomLassoPolicy
Lasso Policy Settings

atomName
Declaring the Class and Its Data Members

atomPickRadius
Atoms In Stick Or Wireframe Displays

atomRadii
Specifying the Radii of Atoms

atomRadiiBinding
Specifying the Radii of Atoms

atomRadiiScaleFactor
Specifying the Radii of Atoms

atomSphereComplexity
Atoms As Spheres

atomSphereDisplayStyle
Atoms As Spheres

ball-stick
Atoms As Spheres
Display Styles
Changing the Rendering Style

ball-wire
Changing the Rendering Style
Display Styles
Atoms As Spheres

ballStickSphereScaleFactor
Atoms As Spheres

beforePrintCB()
Printing A Scene Graph

bond
color of
Coloring Bonds
display style
Bonds As Cylinders
label
Bond Labels
label, color of
Coloring Bond Labels
Controlling the Color of Atoms, Bonds, and Labels
multiple
Bonds As Lines

bondColor
Controlling the Color of Atoms, Bonds, and Labels

bondColorBinding
Coloring Bonds

bondCylinderComplexity
Bonds As Cylinders

bondCylinderDisplayStyle
Bonds As Cylinders

bondCylinderRadius
Bonds As Cylinders

bondFrom
Declaring the Class and Its Data Members

bondIndex
Rendering the Chemical System Data
Declaring the Class and Its Data Members

bondLabelBinding
Coloring Bond Labels

bondLabelColor
Controlling the Color of Atoms, Bonds, and Labels

bondLabelIndex
Rendering the Chemical System Data
Specifying the Chemical System Data to Render
Bond Labels

bondLabelLassoPolicy
Lasso Policy Settings

bondLabelLeftRightJustification
Bond Labels

bondLabelString
Bond Labels

bondLabelTopBottomJustification
Bond Labels

bondLassoPolicy
Lasso Policy Settings

bondTo
Declaring the Class and Its Data Members

bondType
Declaring the Class and Its Data Members

bondWireframeAntiAlias
Bonds As Lines

bondWireframeLineWidth
Bonds As Lines

BStick
Changing the Rendering Style
Using ChemUI

callback function list
Using Callback Methods

callback()
Implementing the Methods
Declaring Methods

ChemAssociatedData
Maintaining Data
Maintaining Additional Information About a Chemical System

ChemBaseData
Molecular Inventor Scene Graphs
Read the Molecular Data
Supplying Chemical System Data
get...() methods
The Get Methods

ChemColor
Controlling the Display Parameters
Molecular Inventor Scene Graphs
setting the colors
Setting the Colors

ChemContour
Using ChemContour

ChemContour2
Using ChemContour2

ChemData
Read the Molecular Data
Supplying Chemical System Data
creating data node
Creating the Data Node and Its Fields
fields
Declaring the Class and Its Data Members
filling fields quickly
Filling ChemData Fields Quickly
implementing methods
Implementing the Methods
methods
Declaring Methods

ChemData.c++
Exploring ChemData.c++
source code
The Entire ChemData.c++ Source

ChemData.h
Exploring ChemData.h

ChemDefs.h
The Include Files

ChemDetail
Selection Mechanisms
discussion of
Using ChemDetail
methods
Using ChemDetail

ChemDisplay
Molecular Inventor Scene Graphs
ChemDisplay()
ChemDisplay Methods
discussion of
Rendering Chemical System Data
methods
ChemDisplay Methods

ChemDisplayKit
Using Node Kits
Using Node Kits

ChemDisplayParam
Molecular Inventor Scene Graphs
Controlling the Display Parameters

ChemIso
Using ChemIso

ChemKit
Using Node Kits

ChemLattice3
Using ChemLattice3
creating instance of
Creating an Instance of ChemLattice3
setting values in
Setting Values in the ChemLattice3 Data Field

ChemPath
Using the Selection List
Understanding Selection Lists
methods
Understanding Selection Lists

ChemPathList
The ChemPathList Class

ChemRadii
Controlling the Atom Radii
Molecular Inventor Scene Graphs
Controlling the Display Parameters

ChemSelection
callback methods
Using Callback Methods
discussion
Understanding the ChemSelection Node
methods
Managing the Child Nodes
methods to manage ChemPathList
Specifying Selections Programmatically
programmatic selections
Specifying Selections Programmatically
An Example of Programmatically Selecting Chemical System Data
using selected items
Using the Selection List

ChemUI
Create the Necessary Molecular Inventor Nodes
discussion
Using ChemUI
placing node
Placing the ChemUI Node
Preferences window
Using ChemUI

clip plane
Clipping Planes

color
atom
Coloring Atoms
atom label
Coloring Atom Labels
bond
Coloring Bonds
bond label
Coloring Bond Labels
setting
Setting the Colors

color table
Controlling the Color of Atoms, Bonds, and Labels
atomColor
Controlling the Color of Atoms, Bonds, and Labels
atomColorBinding
Setting the Colors
atomLabelColor
Controlling the Color of Atoms, Bonds, and Labels
atomLabelColorBinding
Setting the Colors
bondColor
Controlling the Color of Atoms, Bonds, and Labels
bondColorBinding
Setting the Colors
bondLabelColor
Controlling the Color of Atoms, Bonds, and Labels
bondLabelColorBinding
Setting the Colors

colorVar
colorVar Settings

coord
coord Field Settings

copyAll()
Using the X Clipboard

copySelected()
Using the Selection List

CPK
Coloring Atoms
Changing the Rendering Style
Display Styles
Coloring Atoms
Coloring Atoms

data
data Field Settings
Setting Values in the ChemLattice3 Data Field

data node
Supplying Chemical System Data
ChemLattice3
Using ChemLattice3
creating with ChemData
Creating the Data Node and Its Fields
deriving
Deriving a Data Node
filling ChemData quickly
Filling ChemData Fields Quickly

dataVar
dataVar Settings
dataVar Settings

deselect()
Specifying Selections Programmatically

Development Kit, MI
The Molecular Inventor Development Kit

dimension
dimension Field Settings

displayStyle
Display Styles

doAction()
Declaring Methods

drag rectangle
Interactive Selection Mechanisms

DSO
Molecular Inventor Basics

findChild()
Managing the Child Nodes

flipNormals
flipNormals Settings

fog
Atmospheric Effects

fogType
Atmospheric Effects

fogVisibility
Atmospheric Effects

font
for labels
Fonts For Labels
size
Fonts For Labels

fontName
Fonts For Labels

fontSize
Fonts For Labels

generateNormals
generateNormals Settings

getAtomBondIndex()
Using ChemDetail

getAtomBondLabelIndex()
Using ChemDetail

getAtomCoordinates()
The Get Methods

getAtomicNumber()
The Get Methods

getAtomId()
The Get Methods

getAtomIndex()
Understanding Selection Lists
Using ChemDetail
The Get Methods

getAtomLabelIndex()
Understanding Selection Lists
Using ChemDetail

getAtomName()
The Get Methods

getBondFrom()
The Get Methods

getBondIndex()
The Get Methods
Understanding Selection Lists
Using ChemDetail

getBondLabelIndex()
Understanding Selection Lists
Using ChemDetail

getBondTo()
The Get Methods

getBondType()
The Get Methods

getBoundingBox()
Implementing the Methods
Declaring Methods

getChild()
Managing the Child Nodes

getNumberOfAtomLabels()
ChemDisplay Methods

getNumberOfAtoms()
ChemDisplay Methods

getNumberOfBondLabels()
ChemDisplay Methods

getNumberOfBonds()
ChemDisplay Methods

getNumChildren()
Managing the Child Nodes

getNumSelected()
Specifying Selections Programmatically

getSoPath()
Understanding Selection Lists

GLRender()
Declaring Methods
Implementing the Methods

gview
Included Tools

haze
Atmospheric Effects
Atmospheric Effects

helloMI
Writing a Simple Molecular Inventor Application
full code example
helloMI Code Example
scene graph
Create the Root Node and All Required MI Nodes

highlight
changing atom
Highlighting Selected Items
setting fields
Highlighting Selected Items

highlightAtomBitmap
Highlighting Selected Items

highlightAtomBitmapHeight
Highlighting Selected Items

highlightAtomBitmapWidth
Highlighting Selected Items

highlightAtomStyle
Highlighting Selected Items

highlightColor
Highlighting Selected Items

highlightFontName
Highlighting Selected Items

highlightFontSize
Highlighting Selected Items

highlightStippleFactor
Highlighting Selected Items
Highlighting Selected Items

highlightStipplePattern
Highlighting Selected Items

highlightStyle
Highlighting Selected Items

iAxis
iAxis, Axis, and kAxis Settings

initialize
MI
Initialize Inventor and Molecular Inventor
Open Inventor
Initialize Inventor and Molecular Inventor

insertChild()
Managing the Child Nodes

Inventor file
creating
Creating an ASCII Version of an Inventor Scene Graph
definition
Using MI Nodes Within Inventor Files
example
Using MI Nodes Within Inventor Files
viewing
Displaying an Inventor File

isSelected()
Specifying Selections Programmatically

ivfix
Included Tools

ivToVRML
Included Tools

ivview
Included Tools

jAxis
iAxis, Axis, and kAxis Settings

kAxis
iAxis, Axis, and kAxis Settings

label
atom
Atom Labels
atom, color of
Coloring Atom Labels
bond
Bond Labels
font size
Fonts For Labels
fonts
Fonts For Labels
selection sphere
Selection Sphere Label Rendering Settings

lasso
Interactive Selection Mechanisms
rendering
Rendering the Lassos
rendering parameters
Lasso Rendering Settings
settings
Lasso Settings
Lasso Policy Settings

lassoLineColorIndex
Lasso Rendering Settings

lassoLinePattern
Lasso Rendering Settings

lassoLineWidth
Lasso Rendering Settings

lassoType
Lasso Settings

lattice
lattice Settings

levels
levels Settings

maxValue
minValue, maxValue Settings

merge()
Specifying Selections Programmatically

MFVec2i
Specifying the Chemical System Data to Render

mi2iv
Included Tools

miApp
Looking at a Sample Molecular Inventor Application
source files described
Creating a More Complete User Interface

minValue
minValue, maxValue Settings

molecular data
filling ChemData quickly
Filling ChemData Fields Quickly
readFile.c++
Filling ChemData Fields Quickly
reading from file
Read the Molecular Data

molecular data, azt.pdb
Running miApp and Displaying Molecular Data

Molecular Inventor
definition
Molecular Inventor Basics
Development Kit
The Molecular Inventor Development Kit
functionality
The Molecular Inventor Development Kit
software requirements
What You Need to Build Molecular Inventor Applications
tools
Included Tools

multiple bonds
Bonds As Lines

multiple data sets
Rendering Multiple Data Sets in Different Display Styles

multiple displays
Rendering Portions of the Same Data Set in More Than One Display Style

multipleBondSeparation
Bonds As Lines

myPrint()
Printing A Scene Graph

nDataVar
nDataVar Settings

node
ChemBaseData
Molecular Inventor Scene Graphs
ChemColor
Molecular Inventor Scene Graphs
ChemContour
Using ChemContour
ChemContour2
Using ChemContour2
ChemData
Molecular Inventor Scene Graphs
Supplying Chemical System Data
ChemDisplay
Molecular Inventor Scene Graphs
Rendering Chemical System Data
ChemDisplayParam
Molecular Inventor Scene Graphs
ChemIso
Using ChemIso
ChemRadii
Molecular Inventor Scene Graphs
Controlling the Atom Radii
ChemSelection
Understanding the ChemSelection Node
ChemUI
Using ChemUI
Create the Necessary Molecular Inventor Nodes
creating and deleting
Create the Root Node and All Required MI Nodes
creating in helloMI
Create the Necessary Molecular Inventor Nodes
definition
Molecular Inventor Scene Graph Requirements
deriving data node
Deriving a Data Node
display parameters
Controlling the Display Parameters
MI required nodes
Molecular Inventor Scene Graphs
placing ChemUI
Placing the ChemUI Node

node kit
Using Node Kits
ChemDisplayKit
Using Node Kits
ChemKit
Using Node Kits

nonBondedAtomBitmap
Atoms In Stick Or Wireframe Displays

nonBondedAtomBitmapHeight
Atoms In Stick Or Wireframe Displays

nonBondedAtomStyle
Atoms In Stick Or Wireframe Displays

nonBondedtAtomBitmapWidth
Atoms In Stick Or Wireframe Displays

numberOfAtoms
Maintaining Data

numberOfBonds
Maintaining Data

Open Inventor, definition
Open Inventor Basics

OpenGL
Open Inventor Basics

orderedRGBA
levels Settings

parts field
The Parts Field

pick()
Declaring Methods
Implementing the Methods

radii
of atoms
Controlling the Atom Radii
scaling
Specifying the Radii of Atoms

radiusSelect
Enabling a Selection Sphere

radiusSelectCutoff
Enabling a Selection Sphere

radiusSelectLabelColor
Selection Sphere Label Rendering Settings

radiusSelectLabelFontName
Selection Sphere Label Rendering Settings

radiusSelectLabelFontSize
Selection Sphere Label Rendering Settings

radiusSelectSphereColor
Selection Sphere Rendering Settings

radiusSelectSphereComplexity
Selection Sphere Rendering Settings

radiusSelectSphereDrawStyle
Selection Sphere Rendering Settings

radiusSelectSphereTransparency
Selection Sphere Rendering Settings

readFile.c++
Filling ChemData Fields Quickly

removeAllChildren()
Managing the Child Nodes

removeChangeCallback()
Using Callback Methods

removeChild()
Managing the Child Nodes
Managing the Child Nodes

removeDeselectionCallback()
Using Callback Methods

removeFinishCallback()
Using Callback Methods

removeLassoFinishCallback()
Using Callback Methods

removeLassoStartCallback()
Using Callback Methods

removeSelectionCallback()
Using Callback Methods

removeStartCallback()
Using Callback Methods

rendering style
Display Styles
ball-stick
Display Styles
Atoms As Spheres
Changing the Rendering Style
ball-wire
Display Styles
Changing the Rendering Style
Atoms As Spheres
BStick
Changing the Rendering Style
Using ChemUI
CPK
Changing the Rendering Style
Coloring Atoms
Display Styles
stick
Changing the Rendering Style
Display Styles
Atoms In Stick Or Wireframe Displays
wireframe
Changing Display Parameters
Display Styles
Changing the Rendering Style

replaceChild()
Managing the Child Nodes
Managing the Child Nodes

reset()
Declaring Methods

sample application
helloMI
Writing a Simple Molecular Inventor Application
miApp
Looking at a Sample Molecular Inventor Application
Creating a More Complete User Interface
more robust
Writing More Robust Molecular Inventor Applications
Writing More Robust Molecular Inventor Applications
steps in writing
Writing a Simple Molecular Inventor Application

scene graph
actions
The Action Methods
attach to a viewer
Create a Viewer and Attach the Scene Graph
attaching nodes
Attach the Molecular Inventor Nodes to the Scene Graph
definition
Molecular Inventor Scene Graph Requirements
helloMI
Create the Root Node and All Required MI Nodes
mixing MI and Inventor
Rendering Multiple Data Sets in Different Display Styles
more complicated
Using More Complicated Scene Graphs
multiple displays
Rendering Portions of the Same Data Set in More Than One Display Style
multiple sets of data
Rendering Multiple Data Sets in Different Display Styles
printing
Printing A Scene Graph
simplest
Molecular Inventor Scene Graphs
using node kit
Using Node Kits

scene.c++
Using the Selection List

SceneViewer
Included Tools

select()
Specifying Selections Programmatically

selecting
highlighting selected items
Highlighting Selected Items
interactive
Interactive Selection Mechanisms
programmatically
Specifying Selections Programmatically
selection list
The ChemPathList Class
selection mechanisms
Understanding Selection Lists

selection list
The ChemPathList Class

selection mechanism
Understanding Selection Lists
drag rectangle
Interactive Selection Mechanisms
lasso
Interactive Selection Mechanisms
rendering
Rendering the Lassos
selection sphere
Interactive Selection Mechanisms

selection sphere
Interactive Selection Mechanisms
label
Selection Sphere Label Rendering Settings
settings
Enabling a Selection Sphere

set1Value()
Specifying the Chemical System Data to Render

showAtomLabels
Atom Labels

showBondLabels
Bond Labels

showHydrogens
Hydrogen Atoms

showMultipleBonds
Bonds As Lines
Bonds As Lines

smoke
Atmospheric Effects

SoOffscreenRenderer
Printing A Scene Graph

SoPickedPoint
Using ChemDetail

SoRayPickAction
Selection Mechanisms

SoSearchAction
Using the Selection List

SoWriteAction
The Action Methods
Creating an ASCII Version of an Inventor Scene Graph

SoXtClipboard
Using the X Clipboard

stick
Display Styles
Changing the Rendering Style
Atoms In Stick Or Wireframe Displays

stipple pattern
Highlighting Selected Items

threshold
threshold Settings

toggle()
Specifying Selections Programmatically

togglePolicy
Toggle Policy Setting

tools
Included Tools

transferring data between applications
Using the X Clipboard

user interface
Creating a More Complete User Interface

viewer
Create a Viewer and Attach the Scene Graph

wireframe
Changing the Rendering Style
Changing Display Parameters
Display Styles
rendering style
wireframe
Atoms In Stick Or Wireframe Displays

X clipboard
copying data to
Using the X Clipboard
copying selected items to
Using the Selection List