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#!/usr/bin/env python3
import sys
if sys.version_info.minor < 6:
raise Exception("Execute this script with at least python 3.6 to ensure all dicts are ordered!")
XRL_FUNCTIONS = {
'AtomicWeight': {'Z': int},
'ElementDensity': {'Z': int},
'CS_Total': {'Z': int, 'E': float},
'CS_Photo': {'Z': int, 'E': float},
'CS_Rayl': {'Z': int, 'E': float},
'CS_Compt': {'Z': int, 'E': float},
'CS_Energy': {'Z': int, 'E': float},
'CS_KN': {'E': float},
'CSb_Total': {'Z': int, 'E': float},
'CSb_Photo': {'Z': int, 'E': float},
'CSb_Rayl': {'Z': int, 'E': float},
'CSb_Compt': {'Z': int, 'E': float},
'DCS_Thoms': {'theta': float},
'DCS_KN': {'E':float, 'theta': float},
'DCS_Rayl': {'Z': int, 'E':float, 'theta': float},
'DCS_Compt': {'Z': int, 'E':float, 'theta': float},
'DCSb_Rayl': {'Z': int, 'E':float, 'theta': float},
'DCSb_Compt': {'Z': int, 'E':float, 'theta': float},
'DCSP_Thoms': {'theta': float, 'phi': float},
'DCSP_KN': {'E': float, 'theta': float, 'phi': float},
'DCSP_Rayl': {'Z': int, 'E': float, 'theta': float, 'phi': float},
'DCSP_Compt': {'Z': int, 'E': float, 'theta': float, 'phi': float},
'DCSPb_Rayl': {'Z': int, 'E': float, 'theta': float, 'phi': float},
'DCSPb_Compt': {'Z': int, 'E': float, 'theta': float, 'phi': float},
'FF_Rayl': {'Z': int, 'q': float},
'SF_Compt': {'Z': int, 'q': float},
'MomentTransf': {'E': float, 'theta': float},
'LineEnergy': {'Z': int, 'line': int},
'FluorYield': {'Z': int, 'shell': int},
'CosKronTransProb': {'Z': int, 'trans': int},
'EdgeEnergy': {'Z': int, 'shell': int},
'JumpFactor': {'Z': int, 'shell': int},
'CS_FluorLine': {'Z': int, 'line': int, 'E': float},
'CSb_FluorLine': {'Z': int, 'line': int, 'E': float},
'RadRate': {'Z': int, 'line': int},
'ComptonEnergy': {'E0': float, 'theta': float},
'Fi': {'Z': int, 'E': float},
'Fii': {'Z': int, 'E': float},
'CS_Photo_Total': {'Z': int, 'E': float},
'CSb_Photo_Total': {'Z': int, 'E': float},
'CS_Photo_Partial': {'Z': int, 'shell': int, 'E': float},
'CSb_Photo_Partial': {'Z': int, 'shell': int, 'E': float},
'CS_Total_Kissel': {'Z': int, 'E': float},
'CSb_Total_Kissel': {'Z': int, 'E': float},
'ComptonProfile': {'Z': int, 'pz': float},
'ComptonProfile_Partial': {'Z': int, 'shell': int, 'pz': float},
'ElectronConfig': {'Z': int, 'shell': int},
'ElectronConfig_Biggs': {'Z': int, 'shell': int},
'AtomicLevelWidth': {'Z': int, 'shell': int},
'AugerRate': {'Z': int, 'auger_trans': int},
'AugerYield': {'Z': int, 'shell': int},
'CS_FluorLine_Kissel': {'Z': int, 'line': int, 'E': float},
'CSb_FluorLine_Kissel': {'Z': int, 'line': int, 'E': float},
'CS_FluorLine_Kissel_Cascade': {'Z': int, 'line': int, 'E': float},
'CSb_FluorLine_Kissel_Cascade': {'Z': int, 'line': int, 'E': float},
'CS_FluorLine_Kissel_Nonradiative_Cascade': {'Z': int, 'line': int, 'E': float},
'CSb_FluorLine_Kissel_Nonradiative_Cascade': {'Z': int, 'line': int, 'E': float},
'CS_FluorLine_Kissel_Radiative_Cascade': {'Z': int, 'line': int, 'E': float},
'CSb_FluorLine_Kissel_Radiative_Cascade': {'Z': int, 'line': int, 'E': float},
'CS_FluorLine_Kissel_no_Cascade': {'Z': int, 'line': int, 'E': float},
'CSb_FluorLine_Kissel_no_Cascade': {'Z': int, 'line': int, 'E': float},
'PL1_pure_kissel': {'Z': int, 'E': float},
'PL1_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float},
'PL1_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float},
'PL1_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float},
'PL2_pure_kissel': {'Z': int, 'E': float, 'PL1': float},
'PL2_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float},
'PL2_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float},
'PL2_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float},
'PL3_pure_kissel': {'Z': int, 'E': float, 'PL1': float, 'PL2': float},
'PL3_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float},
'PL3_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float},
'PL3_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float},
'PM1_pure_kissel': {'Z': int, 'E': float},
'PM1_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float},
'PM1_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float},
'PM1_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float},
'PM2_pure_kissel': {'Z': int, 'E': float, 'PM1': float},
'PM2_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float},
'PM2_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float},
'PM2_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float},
'PM3_pure_kissel': {'Z': int, 'E': float, 'PM1': float, 'PM2': float},
'PM3_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float},
'PM3_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float},
'PM3_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float},
'PM4_pure_kissel': {'Z': int, 'E': float, 'PM1': float, 'PM2': float, 'PM3': float},
'PM4_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float, 'PM3': float},
'PM4_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float, 'PM3': float},
'PM4_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float, 'PM3': float},
'PM5_pure_kissel': {'Z': int, 'E': float, 'PM1': float, 'PM2': float, 'PM3': float, 'PM4': float},
'PM5_rad_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float, 'PM3': float, 'PM4': float},
'PM5_auger_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float, 'PM3': float, 'PM4': float},
'PM5_full_cascade_kissel': {'Z': int, 'E': float, 'PK': float, 'PL1': float, 'PL2': float, 'PL3': float, 'PM1': float, 'PM2': float, 'PM3': float, 'PM4': float},
'CS_Total_CP': {'compound': str, 'E': float},
'CS_Photo_CP': {'compound': str, 'E': float},
'CS_Rayl_CP': {'compound': str, 'E': float},
'CS_Compt_CP': {'compound': str, 'E': float},
'CS_Energy_CP': {'compound': str, 'E': float},
'CSb_Total_CP': {'compound': str, 'E': float},
'CSb_Photo_CP': {'compound': str, 'E': float},
'CSb_Rayl_CP': {'compound': str, 'E': float},
'CSb_Compt_CP': {'compound': str, 'E': float},
'DCS_Rayl_CP': {'compound': str, 'E': float, 'theta': float},
'DCS_Compt_CP': {'compound': str, 'E': float, 'theta': float},
'DCSb_Rayl_CP': {'compound': str, 'E': float, 'theta': float},
'DCSb_Compt_CP': {'compound': str, 'E': float, 'theta': float},
'DCSP_Rayl_CP': {'compound': str, 'E': float, 'theta': float, 'phi': float},
'DCSP_Compt_CP': {'compound': str, 'E': float, 'theta': float, 'phi': float},
'DCSPb_Rayl_CP': {'compound': str, 'E': float, 'theta': float, 'phi': float},
'DCSPb_Compt_CP': {'compound': str, 'E': float, 'theta': float, 'phi': float},
'CS_Photo_Total_CP': {'compound': str, 'E': float},
'CS_Total_Kissel_CP': {'compound': str, 'E': float},
'CSb_Photo_Total_CP': {'compound': str, 'E': float},
'CSb_Total_Kissel_CP': {'compound': str, 'E': float},
'Refractive_Index_Re': {'compound': str, 'E': float, 'density': float},
'Refractive_Index_Im': {'compound': str, 'E': float, 'density': float}
}
def generate_declaration_for_str(arg_name: str) -> str:
return f'''CHARACTER (KIND=C_CHAR,LEN=*), INTENT(IN) :: {arg_name}
CHARACTER (KIND=C_CHAR), DIMENSION(:), ALLOCATABLE, TARGET :: &
{arg_name}_F'''
def generate_declaration_for_float(arg_name: str) -> str:
return f"REAL (C_DOUBLE), INTENT(IN) :: {arg_name}"
def generate_declaration_for_int(arg_name: str) -> str:
return f"INTEGER (C_INT), INTENT(IN) :: {arg_name}"
def generate_iface_declaration_for_str(arg_name: str) -> str:
return f"TYPE (C_PTR), INTENT(IN), VALUE :: {arg_name}"
def generate_iface_declaration_for_float(arg_name: str) -> str:
return f"REAL (C_DOUBLE), INTENT(IN), VALUE :: {arg_name}"
def generate_iface_declaration_for_int(arg_name: str) -> str:
return f"INTEGER (C_INT), INTENT(IN), VALUE :: {arg_name}"
GENERATE_DECLARATION = {
str: generate_declaration_for_str,
float: generate_declaration_for_float,
int: generate_declaration_for_int
}
GENERATE_IFACE_DECLARATION = {
str: generate_iface_declaration_for_str,
float: generate_iface_declaration_for_float,
int: generate_iface_declaration_for_int
}
def generate_preprocess_for_str(arg_name: str) -> str:
return f'''CALL stringF2C({arg_name}, {arg_name}_F)
'''
GENERATE_PREPROCESS = {
str: generate_preprocess_for_str,
float: lambda arg_name: "",
int: lambda arg_name: ""
}
GENERATE_CALL = {
str: lambda arg_name: f"C_LOC({arg_name}_F)",
float: lambda arg_name: f"{arg_name}",
int: lambda arg_name: f"{arg_name}"
}
def process_function(name: str) -> str:
args = XRL_FUNCTIONS[name]
arg_list = ', '.join(args.keys())
arg_declarations = '\n '.join([GENERATE_DECLARATION[arg_type](arg_name) for arg_name, arg_type in args.items()])
arg_preprocess = ''.join([GENERATE_PREPROCESS[arg_type](arg_name) for arg_name, arg_type in args.items()])
arg_calls = ', '.join([GENERATE_CALL[arg_type](arg_name) for arg_name, arg_type in args.items()])
arg_iface_declarations = '\n '.join([GENERATE_IFACE_DECLARATION[arg_type](arg_name) for arg_name, arg_type in args.items()])
return f'''
FUNCTION {name}({arg_list}, error) RESULT(rv)
USE, INTRINSIC :: ISO_C_BINDING
USE, INTRINSIC :: ISO_FORTRAN_ENV
IMPLICIT NONE
{arg_declarations}
REAL (C_DOUBLE) :: rv
TYPE(xrl_error), POINTER, OPTIONAL :: error
TYPE (C_PTR) :: errorPtr, errorPtrLoc
TARGET :: errorPtr
INTERFACE
FUNCTION {name}C({arg_list}, error) &
BIND(C,NAME='{name}')
USE, INTRINSIC :: ISO_C_BINDING
IMPLICIT NONE
{arg_iface_declarations}
REAL (C_DOUBLE) :: {name}C
TYPE (C_PTR),INTENT(IN),VALUE :: error
ENDFUNCTION {name}C
ENDINTERFACE
errorPtr = C_NULL_PTR
errorPtrLoc = C_NULL_PTR
IF (PRESENT(error)) THEN
IF (.NOT. ASSOCIATED(error)) THEN
errorPtrLoc = C_LOC(errorPtr)
ELSE
! print warning
WRITE (error_unit, '(A)') &
'error POINTER must be disassociated!'
ENDIF
ENDIF
{arg_preprocess}
rv = {name}C({arg_calls}, errorPtrLoc)
IF (C_ASSOCIATED(errorPtr)) THEN
CALL process_error(errorPtr, error)
ENDIF
ENDFUNCTION {name}
'''
with open('xraylib_wrap_generated.F90', 'w') as f:
f.write('! This file has been generated automatically using generate-code.py\n\n')
f.write('\n'.join([process_function(function) for function in XRL_FUNCTIONS.keys()]))
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