The Gnome Chemistry Utils  0.14.12
Enumerations
objprops.h File Reference

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Enumerations

Detailed Description

This file contains the list of symbolic Ids for objects properties as used in gcu::Object::GetProperty and gcu::Object::SetProperty in conjunction with serialization using the gcu::Loader class.

Definition in file objprops.h.

Enumeration Type Documentation

anonymous enum
Enumerator
GCU_PROP_ID 

The unique Id of the object.

GCU_PROP_POS2D 

The position of an object in a 2D representation.

GCU_PROP_POS3D 

The position of an object in a 3D representation.

GCU_PROP_X 

The x coordinate of an object

GCU_PROP_Y 

The y coordinate of an object

GCU_PROP_Z 

The z coordinate of an object

GCU_PROP_XFRACT 

The fractional x coordinate of an object

GCU_PROP_YFRACT 

The fractional y coordinate of an object

GCU_PROP_ZFRACT 

The fractional z coordinate of an object

GCU_PROP_DOC_FILENAME 

The file name.

GCU_PROP_DOC_MIMETYPE 

The mime type.

GCU_PROP_DOC_TITLE 

The title of the document.

GCU_PROP_DOC_COMMENT 

A text added to the document as comment.

GCU_PROP_DOC_CREATOR 

Who created the file or the main author.

GCU_PROP_DOC_CREATOR_EMAIL 

Who created the file or the main author.

GCU_PROP_DOC_CREATION_TIME 

The date of file creation.

GCU_PROP_DOC_MODIFICATION_TIME 

The date of the last file modification.

GCU_PROP_THEME_BOND_LENGTH 

The default bond length, to use when importing files with an unknown theme.

GCU_PROP_THEME_SCALE 

The number of coordinates units in one real unit. This is to import files with a known theme but a scaled unit (like CDX).

GCU_PROP_ATOM_SYMBOL 

The symbol of an atom.

GCU_PROP_ATOM_Z 

The atomic number of an atom.

GCU_PROP_ATOM_CHARGE 

The charge of an atom.

GCU_PROP_ATOM_PARITY 

The parity of an atom: a positive or negative integer followed by the ids of the four (or less) bonded atoms.

GCU_PROP_BOND_BEGIN 

The Id of the atom at the first extremity of the bond.

GCU_PROP_BOND_END 

The Id of the atom at the last extremity of the bond.

GCU_PROP_BOND_ORDER 

The bond order.

GCU_PROP_BOND_TYPE 

The bond type: normal, hash, wedge,...

GCU_PROP_BOND_DOUBLE_POSITION 

The second line position of a double bond when seent from the start atom. Legal values are auto, center, left and right. Anythin else is interpreted as auto.

GCU_PROP_TEXT_POSITION 

The position of a text object. For a simple text, it is equivalent to GCU_PROP_POS2D, but it is different for the text representing a chemical fragment.

GCU_PROP_TEXT_TEXT 

The text of a textual object.

GCU_PROP_TEXT_MARKUP 

The markup of a textual object.

GCU_PROP_TEXT_ALIGNMENT 

The alignment of a textual object.

GCU_PROP_TEXT_JUSTIFICATION 

The justification of a textual object.

GCU_PROP_TEXT_INTERLINE 

The distance between to consecutive lines.

GCU_PROP_TEXT_MAX_LINE_HEIGHT 

The maximum line height.

GCU_PROP_TEXT_VARIABLE_LINE_HEIGHT 

true if line height is variable.

GCU_PROP_FRAGMENT_ATOM_START 

The position in bytes of the bonded atom in a group of atoms.

GCU_PROP_FRAGMENT_ATOM_ID 

The Id of the bonded atom in a group of atoms.

GCU_PROP_ARROW_COORDS 

The 2D coordinates of the start and end points of the arrow in the order xstart, ystart, xend, yend, separated by white spaces.

GCU_PROP_ARROW_START_ID 

The Id of the object representing the reactants.

GCU_PROP_ARROW_END_ID 

The Id of the object representing the products.

GCU_PROP_MESOMER 

The Id of the object representing the mesomer.

GCU_PROP_STOICHIOMETRY 

The Id of the stoichimetry coefficient.

GCU_PROP_MOLECULE 

The Id of a molecule or of the text representing the molecule

GCU_PROP_ARROW_OBJECT 

The Id of a molecule or text attached to an arrow

GCU_PROP_REACTION_ARROW_TYPE 

The type of a reaction arrow ("double" for a reversible arrow).

GCU_PROP_CELL_A 

The a parameter of a crystal cell.

GCU_PROP_CELL_B 

The b parameter of a crystal cell.

GCU_PROP_CELL_C 

The c parameter of a crystal cell.

GCU_PROP_CELL_ALPHA 

The alpha angle of a crystal cell.

GCU_PROP_CELL_BETA 

The beta angle of a crystal cell.

GCU_PROP_CELL_GAMMA 

The gamme angle of a crystal cell.

GCU_PROP_CHEMICAL_NAME_COMMON 

The common name of the chemical entity.

GCU_PROP_CHEMICAL_NAME_SYSTEMATIC 

The IUPAC name of the chemical entity.

GCU_PROP_CHEMICAL_NAME_MINERAL 

The name of the mineral (see http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_name_mineral.html).

GCU_PROP_CHEMICAL_NAME_STRUCTURE 

The name of the structure type (see http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Ichemical_name_structure_type.html).

GCU_PROP_SPACE_GROUP 

The name of the space group for a crystal. The Hall name is used as it is unique.

GCU_PROP_SPECTRUM_TYPE 

The spectrum type, acceptable values are: "INFRARED SPECTRUM", "RAMAN SPECTRUM", "INFRARED PEAK TABLE", "INFRARED INTERFEROGRAM", "INFRARED TRANSFORMED SPECTRUM", "UV-VISIBLE SPECTRUM", "NMR SPECTRUM", "NMR FID", "NMR PEAK TABLE", "NMR PEAK ASSIGNMENTS", "MASS SPECTRUM", "UV-VIS SPECTRUM", "UV/VISIBLE SPECTRUM", "UV/VIS SPECTRUM".

GCU_PROP_SPECTRUM_NPOINTS 

The data number of a spectrum.

GCU_PROP_SPECTRUM_DATA_X 

The x data of a spectrum.

GCU_PROP_SPECTRUM_DATA_Y 

The y data of a spectrum.

GCU_PROP_SPECTRUM_DATA_REAL 

The real components of a spectrum made of complex data.

GCU_PROP_SPECTRUM_DATA_IMAGINARY 

The imaginary components of a spectrum made of complex data.

GCU_PROP_SPECTRUM_X_UNIT 

The x data unit for a spectrum, acceptable values are: "1/CM", "TRANSMITTANCE", "ABSORBANCE", "PPM", "NANOMETERS", "MICROMETERS", "SECONDS", "HZ", "M/Z", "RELATIVE ABUNDANCE".

GCU_PROP_SPECTRUM_X_MIN 

The lowest x datum of a spectrum.

GCU_PROP_SPECTRUM_X_MAX 

The largest x datum of a spectrum.

GCU_PROP_SPECTRUM_X_OFFSET 

The offset x datum of a spectrum.

GCU_PROP_SPECTRUM_NMR_FREQ 

The NMR spectrometer frequency.

GCU_PROP_MAX 

The first invalid value. It might be used as an error value.

Definition at line 33 of file objprops.h.