public static async Task <ISearchIndex> OpenOrInit(IPostgresConnectionInfo i)
{
var address = i.PostgresHost;
var password = i.PostgresPassword;
var dbName = i.PostgresDbName;
var connectionStringPreformatted = CreateConnectionString(address, "{0}", password);
var dbExists = false;
await WithConnection(string.Format(connectionStringPreformatted, "postgres"), async c =>
{
dbExists = await c.ExecuteCommandScalar($"SELECT 1 FROM pg_database WHERE datname='{dbName}'") != null;
if (!dbExists)
{
await c.ExecuteCommandNonQuery($"CREATE DATABASE {dbName}");
}
});
var connectionString = string.Format(connectionStringPreformatted, dbName);
if (!dbExists)
{
await WithConnection(connectionString, async connection =>
{
await connection.ExecuteCommandNonQuery("CREATE EXTENSION rdkit");
await connection.ExecuteCommandNonQuery("CREATE TABLE mr (id SERIAL primary key, ref text, smiles text UNIQUE, mol mol UNIQUE, fp bfp)");
await connection.ExecuteCommandNonQuery("CREATE INDEX ms_fp_idx ON mr USING gist(fp)");
await connection.ExecuteCommandNonQuery("CREATE INDEX ms_mol_idx ON mr USING gist(mol)");
});
}
return(new RDKitIndex(connectionString));
}
public static string CreateConnectionString(IPostgresConnectionInfo i) => CreateConnectionString(i.PostgresHost, i.PostgresDbName, i.PostgresPassword);
