Datum rcml(PG_FUNCTION_ARGS) {
Datum react_datum = PG_GETARG_DATUM(0);
char* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("rcml");
BingoPgText react_text(react_datum);
int buf_size;
const char* react_buf = react_text.getText(buf_size);
const char* bingo_result = ringoRCML(react_buf, buf_size);
if(bingo_result == 0) {
CORE_HANDLE_WARNING(0, 1, "bingo.rcml", bingoGetError());
PG_RETURN_NULL();
}
result = BingoPgCommon::releaseString(bingo_result);
}
PG_BINGO_END
if (result == 0)
PG_RETURN_NULL();
PG_RETURN_CSTRING(result);
}
Datum cansmiles(PG_FUNCTION_ARGS) {
Datum mol_datum = PG_GETARG_DATUM(0);
void* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("cansmiles");
BingoPgText mol_text(mol_datum);
int buf_size;
const char* mol_buf = mol_text.getText(buf_size);
const char* bingo_result = mangoSMILES(mol_buf, buf_size, 1);
if(bingo_result == 0) {
CORE_HANDLE_WARNING(0, 1, "bingo.cansmiles", bingoGetError());
PG_RETURN_NULL();
}
BingoPgText result_text;
result_text.initFromString(bingo_result);
result = result_text.release();
}
PG_BINGO_END
if (result == 0)
PG_RETURN_NULL();
PG_RETURN_TEXT_P(result);
}
Datum checkreaction(PG_FUNCTION_ARGS) {
Datum react_datum = PG_GETARG_DATUM(0);
char* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("checkreaction");
BingoPgText react_text(react_datum);
int buf_size;
const char* react_buf = react_text.getText(buf_size);
const char* bingo_result = ringoCheckReaction(react_buf, buf_size);
if(bingo_result == 0)
PG_RETURN_NULL();
result = BingoPgCommon::releaseString(bingo_result);
}
PG_BINGO_END
if (result == 0)
PG_RETURN_NULL();
PG_RETURN_CSTRING(result);
}
Datum compactmolecule(PG_FUNCTION_ARGS){
Datum mol_datum = PG_GETARG_DATUM(0);
bool options_xyz = PG_GETARG_BOOL(1);
void* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("compactmolecule");
BingoPgText mol_text(mol_datum);
int buf_size;
const char* mol_buf = mol_text.getText(buf_size);
int res_buf;
const char* bingo_result = mangoICM(mol_buf, buf_size, options_xyz, &res_buf);
if(bingo_result == 0) {
CORE_HANDLE_WARNING(0, 1, "bingo.compactmolecule", bingoGetError());
PG_RETURN_NULL();
}
BingoPgText result_data;
result_data.initFromBuffer(bingo_result, res_buf);
result = result_data.release();
}
PG_BINGO_END
if(result == 0)
PG_RETURN_NULL();
PG_RETURN_BYTEA_P(result);
}
Datum getweight(PG_FUNCTION_ARGS){
Datum mol_datum = PG_GETARG_DATUM(0);
Datum options_datum = PG_GETARG_DATUM(1);
float result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("getweight");
BingoPgText mol_text(mol_datum);
BingoPgText mol_options(options_datum);
int buf_len, bingo_res;
const char* buf = mol_text.getText(buf_len);
bingo_res = mangoMass(buf, buf_len, mol_options.getString(), &result);
if(bingo_res < 1) {
CORE_HANDLE_WARNING(0, 1, "bingo.getweight", bingoGetError());
PG_RETURN_NULL();
}
}
PG_BINGO_END
PG_RETURN_FLOAT4(result);
}
Datum checkmolecule(PG_FUNCTION_ARGS) {
Datum mol_datum = PG_GETARG_DATUM(0);
void* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("checkmolecule");
BingoPgText mol_text(mol_datum);
int buf_size;
const char* mol_buf = mol_text.getText(buf_size);
const char* bingo_result = mangoCheckMolecule(mol_buf, buf_size);
if(bingo_result == 0)
PG_RETURN_NULL();
BingoPgText result_text;
result_text.initFromString(bingo_result);
result = result_text.release();
}
PG_BINGO_END
if (result == 0)
PG_RETURN_NULL();
PG_RETURN_TEXT_P(result);
}
Datum aam(PG_FUNCTION_ARGS) {
Datum react_datum = PG_GETARG_DATUM(0);
Datum mode_datum = PG_GETARG_DATUM(1);
void* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("aam");
BingoPgText react_text(react_datum);
BingoPgText aam_mode(mode_datum);
int buf_size;
const char* react_buf = react_text.getText(buf_size);
const char* bingo_result = ringoAAM(react_buf, buf_size, aam_mode.getString());
if(bingo_result == 0) {
CORE_HANDLE_WARNING(0, 1, "bingo.AAM", bingoGetError());
PG_RETURN_NULL();
}
BingoPgText result_text;
result_text.initFromString(bingo_result);
result = result_text.release();
}
PG_BINGO_END
if (result == 0)
PG_RETURN_NULL();
PG_RETURN_TEXT_P(result);
}
Datum rfingerprint(PG_FUNCTION_ARGS){
Datum react_datum = PG_GETARG_DATUM(0);
Datum options_datum = PG_GETARG_DATUM(1);
void* result = 0;
PG_BINGO_BEGIN
{
BingoPgCommon::BingoSessionHandler bingo_handler(fcinfo->flinfo->fn_oid);
bingo_handler.setFunctionName("rfingerprint");
BingoPgText r_text(react_datum);
BingoPgText react_options(options_datum);
int buf_size;
const char* r_buf = r_text.getText(buf_size);
int res_buf;
const char* bingo_result = ringoFingerprint(r_buf, buf_size, react_options.getString(), &res_buf);
if(bingo_result == 0) {
CORE_HANDLE_WARNING(0, 1, "bingo.rfingerprint", bingoGetError());
PG_RETURN_NULL();
}
BingoPgText result_data;
result_data.initFromBuffer(bingo_result, res_buf);
result = result_data.release();
}
PG_BINGO_END
if(result == 0)
PG_RETURN_NULL();
PG_RETURN_BYTEA_P(result);
}