rmgpy.data.base.Entry

class rmgpy.data.base.Entry(index=-1, label='', item=None, parent=None, children=None, data=None, reference=None, referenceType='', shortDesc='', longDesc='', rank=None, nodalDistance=None)

A class for representing individual records in an RMG database. Each entry in the database associates a chemical item (generally a species, functional group, or reaction) with a piece of data corresponding to that item. A significant amount of metadata can also be stored with each entry.

The attributes are:

Attribute Description
index A unique nonnegative integer index for the entry
label A unique string identifier for the entry (or ‘’ if not used)
item The item that this entry represents
parent The parent of the entry in the hierarchy (or None if not used)
children A list of the children of the entry in the hierarchy (or None if not used)
data The data to associate with the item
reference A Reference object containing bibliographic reference information to the source of the data
referenceType The way the data was determined: 'theoretical', 'experimental', or 'review'
shortDesc A brief (one-line) description of the data
longDesc A long, verbose description of the data
rank An integer indicating the degree of confidence in the entry data, or None if not used
nodalDistance A float representing the distance of a given entry from it’s parent entry