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tbellembois/chimithequeutils

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gochimithequeutils

Installation

$> go get github.com/tbellembois/gochimithequeutils/...

Installation of python bindings

$> cd $GOPATH/src/github.com/tbellembois/gochimithequeutils
$> go generate

$> export GODEBUG=cgocheck=0
$> python
>>> import chimitheque as ch
>>> print(ch.__doc__)
Package chimitheque provides useful chemistry related utilities.

>>> ch.LinearToEmpiricalFormula("CH3")
'CH3'

Alternatively, if the gopy python module from go-python/gopy is available from your $PYTHONPATH, one can do the following:

>>> import gopy
>>> ch = gopy.load("github.com/tbellembois/gochimithequeutils/chimitheque", lang="cffi")
gopy> inferring package name...
gopy> loading 'github.com/tbellembois/gochimithequeutils/chimitheque'...
gopy> importing 'github.com/tbellembois/gochimithequeutils/chimitheque'

>>> print(ch.__doc__)
Package chimitheque provides useful chemistry related utilities.

>>> ch.LinearToEmpiricalFormula("CH3")
'CH3'

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