This namespace contains the following constants:
Conformer coordinates will be stored in 64-bit double precision. Useful by applications requiring a higher degree of precision, like numerical optimization or quantum mechanics. Writing out molecules of this type to OEFormat::XYZ or OEFormat::OEB file formats will maintain this level of precision. Even rotor-offset-compressed OEB files can maintain precision to the 15th decimal place when using a DoubleCartesian OEMol.
Conformer coordinates will be stored in 16-bit OEHalfFloat precision defined by the IEEE 754-2008 standard. Useful for applications that need to conserve memory or file size. Writing out molecules of this type to OEFormat::OEB will only preserve 4 decimal places of precision in conformer coordinates. Rotor-offset-compressed OEB files will only preserve up to the 2nd decimal place for conformer coordinates.
Conformer coordinates will be stored in long double precision. long double precision is implementation defined, only defined to be greater than or equal to 64-bits. Writing out molecules of this type to OEFormat::OEB first convert to double precision and only 64-bits of precision will be preserved.
An implementation of OEMCMolBase designed to have a very small memory footprint when compressed using the OEMolBase::Compress method. Compressed molecules are very fragile, the only operations that are valid is destruction, OEMolBase::Clear, and OEMolBase::UnCompress. Using any other method is undefined. Users should uncompress the molecule before working with it.
Used to signal errors and undefined behavior.
How many unique numerical constants are in this namespace.