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Open-source cheminformatics and machine learning.
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gaussTorsionPreferences_v4_smallrings.h File Reference
#include <string>
#include <vector>

Go to the source code of this file.

Namespaces

namespace  GaussTorsions

Typedefs

using GaussianTorsionAngleRaw

Variables

const GaussianTorsionAngleRaw GaussTorsions::SmallRings

Typedef Documentation

◆ GaussianTorsionAngleRaw

Initial value:
std::vector<std::tuple<std::string, std::vector<double>,
std::vector<double>, std::vector<double>>>

Definition at line 13 of file gaussTorsionPreferences_v4_smallrings.h.