The Chemical Candidate Details Dialog is used by the Chemical Selection Candidates Dialog to display details about a candidate chemical's constraint satisfaction, molecular structure, candidate name, and selection comments.
The dialog is activated by pressing the Detail button in the Chemical Selection Candidates Dialog.
The dialog displays constraints, molecular structure, and comments.
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Constraints Summary Control: displays a summary of the constraint evaluations, e.g., 'All Constraints Valid' or 'Invalid Constraints'. |
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Constraint Graphs Control: displays a graph for each constraint. See below for documentation on constraint graphs. |
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Molecular Structure Control: displays the current chemical candidate's molecular structure. |
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Name Control: displays the name of the current chemical candidate. |
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Comments Control: displays information about the selection process. Typically the date of the selection and the name of source knowledge base is included in these comments. |
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Next Button: if the current candidate is not the last candidate, then pressing the Next button will cause the dialog to display details about the next chemical candidate in the list. |
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Prev Button: if the current candidate is not the first candidate, then pressing the Prev button will cause the dialog to display details about the previous chemical candidate in the list. |
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Detail Button: activates the Chemical Detail Dialog which displays additional information about the current chemical candidate. |
A constraint graph displays information about a constraint's function name, minimum limit, maximum limit, goal value, and evaluated value.
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Constraint Function Name: displays the constraint's function name. If the constraint's function was in 'inline' style, then the functional form will be displayed. |
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Constraint Value (numerical): displays, in green text, the value resulting from this constraint's evaluation. |
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Constraint Value (graphical): displays, as a green rectangle, the value resulting from this constraint's evaluation on the graph's axis. |
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Minimum Limit: displays, in gray text, the constraint's minimum limit. |
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Goal Value: displays, in blue text, the constraint's goal value. This value is also represented by the blue diamong on the graph's axis. |
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Maximum Limit: displays, in gray text, the constraint's maximum limit. |
| Topic | Description |
|---|---|
| Graph Document | the document that contains chapters for both triangular and xy graphs. |
| Creating Graphs | documentation and examples on creating graphs, adding curve segments, editing attributes, and adding values. |