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include/nuri/fmt/pdb.h

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+//
+// Project nurikit - Copyright 2023 SNU Compbio Lab.
+// SPDX-License-Identifier: Apache-2.0
+//
+
+#ifndef NURI_FMT_PDB_H_
+#define NURI_FMT_PDB_H_
+
+#include <string>
+#include <vector>
+
+#include <absl/base/attributes.h>
+
+#include "nuri/core/molecule.h"
+#include "nuri/fmt/base.h"
+
+namespace nuri {
+/**
+ * @brief Read a single PDB string and return a molecule.
+ *
+ * @param pdb the PDB string to read.
+ * @return A molecule. On failure, the returned molecule is empty.
+ */
+extern Molecule read_pdb(const std::vector<std::string> &pdb);
+
+class PDBReader: public DefaultReaderImpl<read_pdb> {
+public:
+  using DefaultReaderImpl<read_pdb>::DefaultReaderImpl;
+
+  bool getnext(std::vector<std::string> &block) override;
+
+private:
+  std::vector<std::string> header_;
+  std::vector<std::string> rfooter_;
+};
+
+class PDBReaderFactory: public DefaultReaderFactoryImpl<PDBReader> {
+private:
+  static const bool kRegistered ABSL_ATTRIBUTE_UNUSED;
+};
+}  // namespace nuri
+
+#endif /* NURI_FMT_PDB_H_ */