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first pass, using google style

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This commit is contained in:
Greg Landrum
2015-11-14 14:58:11 +01:00
parent 80bb809b31
commit e08e0d16d8
619 changed files with 138877 additions and 133381 deletions
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64
Code/DataStructs/Wrap/DataStructs.cpp
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@@ -31,43 +31,44 @@ void wrap_discreteValVect();
void wrap_sparseIntVect();
template <typename T>
void convertToNumpyArray(const T &v,python::object destArray){
void convertToNumpyArray(const T &v, python::object destArray) {
if (!PyArray_Check(destArray.ptr())) {
throw_value_error("Expecting a Numeric array object");
}
PyArrayObject *destP=(PyArrayObject *)destArray.ptr();
PyArrayObject *destP = (PyArrayObject *)destArray.ptr();
npy_intp ndims[1];
ndims[0]=v.size();
ndims[0] = v.size();
PyArray_Dims dims;
dims.ptr=ndims;
dims.len=1;
PyArray_Resize(destP,&dims,0,NPY_ANYORDER);
for(unsigned int i=0;i<v.size();++i){
dims.ptr = ndims;
dims.len = 1;
PyArray_Resize(destP, &dims, 0, NPY_ANYORDER);
for (unsigned int i = 0; i < v.size(); ++i) {
PyObject *iItem = PyInt_FromLong(v[i]);
PyArray_SETITEM(destP,PyArray_GETPTR1(destP,i),iItem);
PyArray_SETITEM(destP, PyArray_GETPTR1(destP, i), iItem);
Py_DECREF(iItem);
}
}
BOOST_PYTHON_MODULE(cDataStructs)
{
BOOST_PYTHON_MODULE(cDataStructs) {
rdkit_import_array();
python::scope().attr("__doc__") =
"Module containing an assortment of functionality for basic data structures.\n"
"\n"
"At the moment the data structures defined are:\n"
" Bit Vector classes (for storing signatures, fingerprints and the like:\n"
" - ExplicitBitVect: class for relatively small (10s of thousands of bits) or\n"
" dense bit vectors.\n"
" - SparseBitVect: class for large, sparse bit vectors\n"
" DiscreteValueVect: class for storing vectors of integers\n"
" SparseIntVect: class for storing sparse vectors of integers\n"
;
python::register_exception_translator<IndexErrorException>(&translate_index_error);
python::register_exception_translator<ValueErrorException>(&translate_value_error);
"Module containing an assortment of functionality for basic data "
"structures.\n"
"\n"
"At the moment the data structures defined are:\n"
" Bit Vector classes (for storing signatures, fingerprints and the "
"like:\n"
" - ExplicitBitVect: class for relatively small (10s of thousands of "
"bits) or\n"
" dense bit vectors.\n"
" - SparseBitVect: class for large, sparse bit vectors\n"
" DiscreteValueVect: class for storing vectors of integers\n"
" SparseIntVect: class for storing sparse vectors of integers\n";
python::register_exception_translator<IndexErrorException>(
&translate_index_error);
python::register_exception_translator<ValueErrorException>(
&translate_value_error);
wrap_Utils();
wrap_SBV();
@@ -76,9 +77,12 @@ BOOST_PYTHON_MODULE(cDataStructs)
wrap_discreteValVect();
wrap_sparseIntVect();
python::def("ConvertToNumpyArray", (void (*)(const ExplicitBitVect &,python::object))convertToNumpyArray,
(python::arg("bv"),python::arg("destArray")));
python::def("ConvertToNumpyArray", (void (*)(const RDKit::DiscreteValueVect &,python::object))convertToNumpyArray,
(python::arg("bv"),python::arg("destArray")));
python::def(
"ConvertToNumpyArray",
(void (*)(const ExplicitBitVect &, python::object))convertToNumpyArray,
(python::arg("bv"), python::arg("destArray")));
python::def("ConvertToNumpyArray",
(void (*)(const RDKit::DiscreteValueVect &,
python::object))convertToNumpyArray,
(python::arg("bv"), python::arg("destArray")));
}