#pragma once

#include "CoreMinimal.h"
#include "Kismet/BlueprintFunctionLibrary.h"
#include "MoleculeFunctionLibrary.generated.h"

/**
 * Struct representing an atom
 */
USTRUCT(BlueprintType)
struct FAtom
{
	GENERATED_BODY()

	UPROPERTY(BlueprintReadWrite, Category="Molecule")
	FString Element;

	UPROPERTY(BlueprintReadWrite, Category="Molecule")
	FVector Position; // Unreal coordinates
};

/**
 * Struct representing a bond
 */
USTRUCT(BlueprintType)
struct FBond
{
	GENERATED_BODY()

	UPROPERTY(BlueprintReadWrite, Category="Molecule")
	int32 AtomIndex1;

	UPROPERTY(BlueprintReadWrite, Category="Molecule")
	int32 AtomIndex2;
};

/**
 * Blueprint Function Library to parse PDB strings
 */
UCLASS()
class UMoleculeFunctionLibrary : public UBlueprintFunctionLibrary
{
	GENERATED_BODY()

public:

	/**
	 * Parses a PDB string and outputs arrays of atoms and bonds
	 */
	UFUNCTION(BlueprintCallable, Category="Molecule")
	static bool ParsePDBFromString(const FString& PDBContent, TArray<FAtom>& OutAtoms, TArray<FBond>& OutBonds);
};