Ah Fu, Peter, Andreas

notifications don't work, Andreas will investigate

Peter likes Ah Fu's implementation

now extend it

generate schema / XML file

How to generate the schema?

Jaxb has a schema generator. That can be used to generate an initial schema and then modify it.

The goal is to get the table into java and then use it in the approach to calculate molecular mass.

Element table: should be ok up to atomic number 82

source should be XML.

Generate the periodic table as the large XML file.

Then use the new loading code to load it.

Peter: remove Utils.roundToDecimals() from the main methods. Only use it in the test case. The main methods should return full available precision. I.e. in the PeptideProperties class, remove all methods that have the decimals in the method call.

XML

schema for Elements
build up periodic table
parse it

Precision

remove methods with digits argument from PeptideProperties

Peter:

will provide feedback on the Profeat features.

Andreas:

fix cruisecontrol