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OpenMM
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OpenMM
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An Element represents a chemical element. More...
Public Member Functions | |
| def | __init__ |
| Create a new element. | |
| def | atomic_number |
| def | name |
| def | symbol |
| def | mass |
| def | __str__ |
| def | __repr__ |
Static Public Member Functions | |
| def | getBySymbol |
| Get the Element with a particular chemical symbol. | |
| def | getByAtomicNumber |
| def | getByMass |
| Get the element whose mass is CLOSEST to the requested mass. | |
An Element represents a chemical element.
The simtk.openmm.app.element module contains objects for all the standard chemical elements, such as element.hydrogen or element.carbon. You can also call the static method Element.getBySymbol() to look up the Element with a particular chemical symbol.
Element objects should be considered immutable
| def __init__ | ( | self, | |
| number, | |||
| name, | |||
| symbol, | |||
| mass | |||
| ) |
Create a new element.
| number | (int) The atomic number of the element |
| name | (string) The name of the element |
| symbol | (string) The chemical symbol of the element |
| mass | (float) The atomic mass of the element |
| def __repr__ | ( | self | ) |
| def __str__ | ( | self | ) |
| def atomic_number | ( | self | ) |
| def getByAtomicNumber | ( | atomic_number | ) | [static] |
| def getByMass | ( | mass | ) | [static] |
Get the element whose mass is CLOSEST to the requested mass.
This method should not be used for repartitioned masses
| mass | (float or Quantity) Mass of the atom to find the element for. Units assumed to be daltons if not specified |
| def getBySymbol | ( | symbol | ) | [static] |
Get the Element with a particular chemical symbol.
| def mass | ( | self | ) |
| def name | ( | self | ) |
| def symbol | ( | self | ) |
1.7.6.1 
