Attributes describe the properties of the elements, therefore each
attribute cannot appear more than once for each element. Attributes
can be written in any order and separator characters (space, tab, newline)
before or after the attributes or their values are ignored.
Some attributes are required (for example, the
x,
y,
z atom coordinates), some are optional (for example the atom
mass) and default values are used when they are not explicitely
indicated. What are these default values and how to change them is the
subject of the
Gamgi part of this manual.
Some optional attributes are coupled (for example, the
red,
green,
blue atom colors), which means that, if present, the whole set must
be indicated.
Some attributes are incompatible because they describe properties that cannot
be valid simultaneously for the same object (for example, a cell element cannot
have simultaneously
n1,
n2,
n3 number of cells and a volume
set to
sphere).
For each GAMGI object, a description of all the accepted attributes,
with their possible values and restrictions, is presented in the
corresponding chapter of this manual.
Good:
<atom element="H" x="0.0" y="0.0" z="0.0"/> all required attributes are present
<atom
z= "0.0"
y=" 0.0"
x="0.0 "
element="H" /> equivalent to example above
<atom element="H" x="0.0" y="0.0" z="0.0" mass="2.0"/> optional attributes may be added
Bad:
<atom element="H" x="0.0" z="0.0"/> a required parameter is missing
<atom element="H" x="0.0" y="0.0" z="0.0" red="1.0" blue="1.0" /> a coupled parameter is missing
<atom element="H" x="0.0" y="0.0" z="0.0" element="H"/> the same attribute appears twice
<cell system="c" lattice="P" a="1.0" n1="1" n2="1" n3="1" volume="sphere" v1="1.0"/>
incompatible attributes