Python ctypes.c_int64方法代码示例

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def rsphar(r,lmax,res):
  """
    Computes (all) real spherical harmonics up to the angular momentum lmax
    Args:
      r : Cartesian coordinates defining correct theta and phi angles for spherical harmonic
      lmax : Integer, maximal angular momentum
    Result:
      1-d numpy array of float64 elements with all spherical harmonics stored in order 0,0; 1,-1; 1,0; 1,+1 ... lmax,lmax, althogether 0 : (lmax+1)**2 elements.
  """
  assert r.shape[-1]==3
  
  r_cp = np.require(r,  dtype=float, requirements='C')
  res = np.require(res,  dtype=float, requirements='CW')
  
  libnao.rsphar(r_cp.ctypes.data_as(POINTER(c_double)), c_int64(lmax), res.ctypes.data_as(POINTER(c_double)))
  return 0

#
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# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def rsphar_vec(rvs,lmax):
  """
    Computes (all) real spherical harmonics up to the angular momentum lmax
    Args:
      rvs : Cartesian coordinates defining correct theta and phi angles for spherical harmonic
      lmax : Integer, maximal angular momentum
    Result:
      1-d numpy array of float64 elements with all spherical harmonics stored in order 0,0; 1,-1; 1,0; 1,+1 ... lmax,lmax, althogether 0 : (lmax+1)**2 elements.
  """
  assert rvs.shape[-1]==3
  r_cp = np.require(rvs,  dtype=float, requirements='C')
  nc = len(rvs)
  res = np.require( np.zeros((nc, (lmax+1)**2)), dtype=float, requirements='CW')
  libnao.rsphar_vec(r_cp.ctypes.data_as(POINTER(c_double)), c_int64(nc), c_int64(lmax), res.ctypes.data_as(POINTER(c_double)))
  
  #for irv,rvec in enumerate(rvs): rsphar(rvec,lmax,res[irv,:])
  return res

#
#
# 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def rsphar_exp_vec(rvs,lmax):
  """
    Computes (all) real spherical harmonics up to the angular momentum lmax
    Args:
      rvs : Cartesian coordinates defining correct theta and phi angles for spherical harmonic
      lmax : Integer, maximal angular momentum
    Result:
      1-d numpy array of float64 elements with all spherical harmonics stored in order 0,0; 1,-1; 1,0; 1,+1 ... lmax,lmax, althogether 0 : (lmax+1)**2 elements.
  """  
  assert rvs.shape[0]==3
  r_cp = np.require(rvs,  dtype=np.float64, requirements='C')
  nc = rvs[0,...].size
  res = np.require( np.zeros(((lmax+1)**2,nc)), dtype=np.float64, requirements='CW')
  libnao.rsphar_exp_vec(r_cp.ctypes.data_as(POINTER(c_double)), c_int64(nc), c_int64(lmax), res.ctypes.data_as(POINTER(c_double)))
  
  #for irv,rvec in enumerate(rvs): rsphar(rvec,lmax,res[irv,:])
  return res 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def dens_libnao(crds, nspin):
  """  Compute the electronic density using library call """
  assert crds.ndim==2  
  assert crds.shape[-1]==3
  
  nc = crds.shape[0]
  crds_cp = require(crds, dtype=c_double, requirements='C')
  dens = require( zeros((nc, nspin)), dtype=c_double, requirements='CW')

  libnao.dens_libnao(
    crds_cp.ctypes.data_as(POINTER(c_double)),
    c_int64(nc),
    dens.ctypes.data_as(POINTER(c_double)),
    c_int64(nspin))

  return dens 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def init_prod_basis_pp(self, sv, **kvargs):
    """ Talman's procedure should be working well with Pseudo-Potential starting point."""
    from pyscf.nao.m_prod_biloc import prod_biloc_c

    #t1 = timer()    
    self.init_inp_param_prod_log_dp(sv, **kvargs)
    data = self.chain_data()
    libnao.init_vrtx_cc_apair(data.ctypes.data_as(POINTER(c_double)), c_int64(len(data)))
    self.sv_pbloc_data = True
    
    #t2 = timer(); print(t2-t1); t1=timer();
    self.bp2info = [] # going to be some information including indices of atoms, list of contributing centres, conversion coefficients
    for ia1 in range(sv.natoms):
      rc1 = sv.ao_log.sp2rcut[sv.atom2sp[ia1]]
      for ia2 in range(ia1+1,sv.natoms):
        rc2,dist = sv.ao_log.sp2rcut[sv.atom2sp[ia2]], sqrt(((sv.atom2coord[ia1]-sv.atom2coord[ia2])**2).sum())
        if dist>rc1+rc2 : continue
        pbiloc = self.comp_apair_pp_libint(ia1,ia2)
        if pbiloc is not None : self.bp2info.append(pbiloc)
    
    self.dpc2s,self.dpc2t,self.dpc2sp = self.init_c2s_domiprod() # dominant product's counting
    self.npdp = self.dpc2s[-1]
    self.norbs = self.sv.norbs
    return self 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def aos_libnao(coords, norbs):
  assert len(coords.shape) == 2
  assert coords.shape[1] == 3
  assert norbs>0

  ncoords = coords.shape[0]
  co2val = np.require( np.zeros((ncoords,norbs)), dtype=c_double, requirements='CW')
  crd_copy = np.require(coords, dtype=c_double, requirements='C')

  libnao.aos_libnao(
    c_int64(ncoords),
    crd_copy.ctypes.data_as(POINTER(c_double)),
    c_int64(norbs),
    co2val.ctypes.data_as(POINTER(c_double)),
    c_int64(norbs))

  return co2val 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def _ar_arsdk_encode_type_info(cls, ar_argtype):
        arsdk_encode_type_info_map = {
            arsdkparser.ArArgType.I8: (od.ARSDK_ARG_TYPE_I8, "i8", ctypes.c_int8),
            arsdkparser.ArArgType.U8: (od.ARSDK_ARG_TYPE_U8, "u8", ctypes.c_uint8),
            arsdkparser.ArArgType.I16: (od.ARSDK_ARG_TYPE_I16, "i16", ctypes.c_int16),
            arsdkparser.ArArgType.U16: (od.ARSDK_ARG_TYPE_U16, "u16", ctypes.c_uint16),
            arsdkparser.ArArgType.I32: (od.ARSDK_ARG_TYPE_I32, "i32", ctypes.c_int32),
            arsdkparser.ArArgType.U32: (od.ARSDK_ARG_TYPE_U32, "u32", ctypes.c_uint32),
            arsdkparser.ArArgType.I64: (od.ARSDK_ARG_TYPE_I64, "i64", ctypes.c_int64),
            arsdkparser.ArArgType.U64: (od.ARSDK_ARG_TYPE_U64, "u64", ctypes.c_uint64),
            arsdkparser.ArArgType.FLOAT: (od.ARSDK_ARG_TYPE_FLOAT, "f32", ctypes.c_float),
            arsdkparser.ArArgType.DOUBLE: (od.ARSDK_ARG_TYPE_DOUBLE, "f64", ctypes.c_double),
            arsdkparser.ArArgType.STRING: (od.ARSDK_ARG_TYPE_STRING, "cstr", od.char_pointer_cast),
            arsdkparser.ArArgType.ENUM: (od.ARSDK_ARG_TYPE_ENUM, "i32", ctypes.c_int32),
        }
        return arsdk_encode_type_info_map[ar_argtype] 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def c_int_array(data):
    """Get pointer of int numpy array / list."""
    if is_1d_list(data):
        data = np.array(data, copy=False)
    if is_numpy_1d_array(data):
        data = convert_from_sliced_object(data)
        assert data.flags.c_contiguous
        if data.dtype == np.int32:
            ptr_data = data.ctypes.data_as(ctypes.POINTER(ctypes.c_int32))
            type_data = C_API_DTYPE_INT32
        elif data.dtype == np.int64:
            ptr_data = data.ctypes.data_as(ctypes.POINTER(ctypes.c_int64))
            type_data = C_API_DTYPE_INT64
        else:
            raise TypeError("Expected np.int32 or np.int64, met type({})"
                            .format(data.dtype))
    else:
        raise TypeError("Unknown type({})".format(type(data).__name__))
    return (ptr_data, type_data, data)  # return `data` to avoid the temporary copy is freed 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def __init_from_csc(self, csc, params_str, ref_dataset):
        """Initialize data from a CSC matrix."""
        if len(csc.indices) != len(csc.data):
            raise ValueError('Length mismatch: {} vs {}'.format(len(csc.indices), len(csc.data)))
        self.handle = ctypes.c_void_p()

        ptr_indptr, type_ptr_indptr, __ = c_int_array(csc.indptr)
        ptr_data, type_ptr_data, _ = c_float_array(csc.data)

        assert csc.shape[0] <= MAX_INT32
        csc.indices = csc.indices.astype(np.int32, copy=False)

        _safe_call(_LIB.LGBM_DatasetCreateFromCSC(
            ptr_indptr,
            ctypes.c_int(type_ptr_indptr),
            csc.indices.ctypes.data_as(ctypes.POINTER(ctypes.c_int32)),
            ptr_data,
            ctypes.c_int(type_ptr_data),
            ctypes.c_int64(len(csc.indptr)),
            ctypes.c_int64(len(csc.data)),
            ctypes.c_int64(csc.shape[0]),
            c_str(params_str),
            ref_dataset,
            ctypes.byref(self.handle)))
        return self 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def __inner_predict(self, data_idx):
        """Predict for training and validation dataset."""
        if data_idx >= self.__num_dataset:
            raise ValueError("Data_idx should be smaller than number of dataset")
        if self.__inner_predict_buffer[data_idx] is None:
            if data_idx == 0:
                n_preds = self.train_set.num_data() * self.__num_class
            else:
                n_preds = self.valid_sets[data_idx - 1].num_data() * self.__num_class
            self.__inner_predict_buffer[data_idx] = np.zeros(n_preds, dtype=np.float64)
        # avoid to predict many time in one iteration
        if not self.__is_predicted_cur_iter[data_idx]:
            tmp_out_len = ctypes.c_int64(0)
            data_ptr = self.__inner_predict_buffer[data_idx].ctypes.data_as(ctypes.POINTER(ctypes.c_double))
            _safe_call(_LIB.LGBM_BoosterGetPredict(
                self.handle,
                ctypes.c_int(data_idx),
                ctypes.byref(tmp_out_len),
                data_ptr))
            if tmp_out_len.value != len(self.__inner_predict_buffer[data_idx]):
                raise ValueError("Wrong length of predict results for data %d" % (data_idx))
            self.__is_predicted_cur_iter[data_idx] = True
        return self.__inner_predict_buffer[data_idx] 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def adapt_int_width(n, width, signed=True):
    n = int(n)

    if width == 1:
        result = n
    elif width == 2:
        result = n
    elif width == 4:
        result = ctypes.c_int8(n).value if signed else ctypes.c_uint8(n).value
    elif width == 8:
        result = ctypes.c_int8(n).value if signed else ctypes.c_uint8(n).value
    elif width == 16:
        result = ctypes.c_int16(n).value if signed else ctypes.c_uint16(n).value
    elif width == 32:
        result = ctypes.c_int32(n).value if signed else ctypes.c_uint32(n).value
    elif width == 64:
        result = ctypes.c_int64(n).value if signed else ctypes.c_uint64(n).value
    else:
        result = n
    return result 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def zone_write_double_values(file_handle, zone, var, values):
    tecio.tecZoneVarWriteDoubleValues.restype=ctypes.c_int32
    tecio.tecZoneVarWriteDoubleValues.argtypes=(
            ctypes.c_void_p, #file_handle
            ctypes.c_int32,  #zone
            ctypes.c_int32,  #var
            ctypes.c_int32,  #partition
            ctypes.c_int64,  #count
            ctypes.POINTER(ctypes.c_double)) #values

    values_ptr = (ctypes.c_double*len(values))(*values)
    ret = tecio.tecZoneVarWriteDoubleValues(file_handle,
            zone,
            var,
            0,
            len(values),
            values_ptr)
    if ret != 0:
        raise Exception("zone_write_double_values Error") 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def zone_write_float_values(file_handle, zone, var, values):
    tecio.tecZoneVarWriteFloatValues.restype=ctypes.c_int32
    tecio.tecZoneVarWriteFloatValues.argtypes=(
            ctypes.c_void_p, #file_handle
            ctypes.c_int32,  #zone
            ctypes.c_int32,  #var
            ctypes.c_int32,  #partition
            ctypes.c_int64,  #count
            ctypes.POINTER(ctypes.c_float)) #values

    values_ptr = (ctypes.c_float*len(values))(*values)
    ret = tecio.tecZoneVarWriteFloatValues(file_handle,
            zone,
            var,
            0,
            len(values),
            values_ptr)
    if ret != 0:
        raise Exception("zone_write_float_values Error") 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def zone_write_int32_values(file_handle, zone, var, values):
    tecio.tecZoneVarWriteInt32Values.restype=ctypes.c_int32
    tecio.tecZoneVarWriteInt32Values.argtypes=(
            ctypes.c_void_p, #file_handle
            ctypes.c_int32,  #zone
            ctypes.c_int32,  #var
            ctypes.c_int32,  #partition
            ctypes.c_int64,  #count
            ctypes.POINTER(ctypes.c_int32)) #values

    values_ptr = (ctypes.c_int32*len(values))(*values)
    ret = tecio.tecZoneVarWriteInt32Values(file_handle,
            zone,
            var,
            0,
            len(values),
            values_ptr)
    if ret != 0:
        raise Exception("zone_write_int32_values Error") 

# 需要导入模块: import ctypes [as 别名]
# 或者: from ctypes import c_int64 [as 别名]
def zone_write_int16_values(file_handle, zone, var, values):
    tecio.tecZoneVarWriteInt16Values.restype=ctypes.c_int32
    tecio.tecZoneVarWriteInt16Values.argtypes=(
            ctypes.c_void_p, #file_handle
            ctypes.c_int32,  #zone
            ctypes.c_int32,  #var
            ctypes.c_int32,  #partition
            ctypes.c_int64,  #count
            ctypes.POINTER(ctypes.c_int16)) #values

    values_ptr = (ctypes.c_int16*len(values))(*values)
    ret = tecio.tecZoneVarWriteInt16Values(file_handle,
            zone,
            var,
            0,
            len(values),
            values_ptr)
    if ret != 0:
        raise Exception("zone_write_int16_values Error")