8 #ifndef PDBPREPARATION_SPECIALCASEHANDLER_H
9 #define PDBPREPARATION_SPECIALCASEHANDLER_H
21 enum class ElementType : unsigned;
24 namespace StructurePreparation {
25 struct StructurePreparationData;
27 namespace SpecialCaseHandler {
29 bool isProteinAtom(
const StructurePreparationData& data,
int index);
38 bool isNegative(
const StructurePreparationData& data,
int index, std::vector<int>& listOfNegatives);
47 bool isPositive(
const StructurePreparationData& data,
int index, std::vector<int>& listOfPositives);
52 bool isCTerminus(
const StructurePreparationData& data,
int index);
56 bool isCarboxylateC(
const StructurePreparationData& data,
int index);
62 #endif // PDBPREPARATION_SPECIALCASEHANDLER_H