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import os
from pyplusplus import module_builder
import fnmatch
#generates bzrrev.h:
import bzrrev
#Creating an instance of class that will help you to expose your declarations
mb = module_builder.module_builder_t( [os.path.abspath('./ptools.h'), os.path.abspath('./py_details.h')]
, gccxml_path=r""
, define_symbols=[] )
#Well, don't you want to see what is going on?
#mb.print_declarations()
mb.classes().exclude()
mb.free_functions().exclude()
coord3D = mb.class_("Coord3D")
coord3D.include()
normalize = coord3D.member_function("Normalize")
normalize.call_policies = module_builder.call_policies.return_internal_reference()
coordsarray = mb.class_("CoordsArray")
coordsarray.include()
#matrix44xVect = coordsarray.member_function
rigidbody = mb.class_("Rigidbody")
#getatom = rigidbody.member_function("GetAtomReference")
#getatom.call_policies = module_builder.call_policies.return_internal_reference()
rigidbody.include()
attractrigidbody=mb.class_("AttractRigidbody")
attractrigidbody.include()
Region = mb.class_("Region")
Region.include()
Mcoprigid=mb.class_("Mcoprigid")
Mcoprigid.include()
atomproperty=mb.class_("Atomproperty")
atomproperty.include()
atom = mb.class_("Atom")
atom.include()
#attractEuler = mb.free_functions("AttractEuler")
#attractEuler.include()
forceField = mb.class_("ForceField")
forceField.include()
mb.class_("BaseAttractForceField").include()
attractForceField1 = mb.class_("AttractForceField1")
attractForceField1.include()
attractForceField2 = mb.class_("AttractForceField2")
attractForceField2.include()
McopForceField = mb.class_("McopForceField")
McopForceField.include()
AtomPair = mb.class_("AtomPair")
AtomPair.include()
#this will introduce the PairList template
#this is tricky and quite ugly. Looking for a better alternative
#pairlist = mb.class_("T_PairList<PTools::Rigidbody>") #regular pairlist (for Rigidbody)
#pairlist.include()
#att2pairlist=mb.class_("T_PairList<PTools::AttractRigidbody>") #the new Attract 2 pairlist (works with AttractRigidbody)
attpairlist=mb.class_("AttractPairList")
attpairlist.include()
#mb.namespace( 'py_details' ).exclude() #exclude the py_details ugly namespace
lbfgs = mb.class_("Lbfgs")
lbfgs.include()
rmsd = mb.free_function("Rmsd")
rmsd.include()
Norm = mb.free_function("Norm")
Norm.include()
Norm2 = mb.free_function("Norm2")
Norm2.include()
Dist = mb.free_function("Dist").include()
Dist2 = mb.free_function("Dist2").include()
mb.free_function("Dihedral").include()
mb.free_function("Angle").include()
PrintCoord=mb.free_function("PrintCoord")
PrintCoord.include()
WritePDB=mb.free_function("WritePDB")
WritePDB.include()
atomselection = mb.class_("AtomSelection")
atomselection.include()
screw =mb.class_("Screw")
printscrew = screw.member_function("print")
printscrew.rename("Print")
screw.include()
superpose_t = mb.class_("Superpose_t")
superpose_t.include()
superpose=mb.free_functions("superpose")
superpose.include()
surf=mb.class_("Surface")
surf.include()
Matrix=mb.class_("Array2D<double>")
Matrix.include()
Matrix.alias = "Matrix"
Matrix.operators("()", arg_types=["int","int"]).exclude()
Matrix.member_function("id").exclude()
Version = mb.class_("Version").include()
try:
surreal = mb.class_("surreal")
surreal.include()
except :
print "no surreal type this time."
#Creating code creator. After this step you should not modify/customize declarations.
mb.build_code_creator( module_name='_ptools' )
mb.code_creator.replace_included_headers( ["ptools.h"] )
#Writing code to file.
mb.split_module( 'Pybindings' )
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