pcharge.h

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//
// Project NuriKit - Copyright 2025 SNU Compbio Lab.
// SPDX-License-Identifier: Apache-2.0
//
 
#ifndef NURI_DESC_PCHARGE_H_
#define NURI_DESC_PCHARGE_H_

#include <absl/base/attributes.h>
 
#include "nuri/core/molecule.h"
 
namespace nuri {
ABSL_MUST_USE_RESULT
extern bool assign_charges_gasteiger(Molecule &mol, int relaxation_steps = 12);
}  // namespace nuri
 
#endif /* NURI_DESC_PCHARGE_H_ */