formatting

include/cif++/AtomType.hpp

@@ -29,8 +29,8 @@
 #pragma once
 #pragma once
 
 
 #include <cstdint>
 #include <cstdint>
-#include <string>
 #include <stdexcept>
 #include <stdexcept>
+#include <string>
 
 
 namespace mmcif
 namespace mmcif
 {
 {
@@ -172,7 +172,8 @@ enum AtomType : uint8_t
 // --------------------------------------------------------------------
 // --------------------------------------------------------------------
 // AtomTypeInfo
 // AtomTypeInfo
 
 
-enum RadiusType {
+enum RadiusType
+{
 	eRadiusCalculated,
 	eRadiusCalculated,
 	eRadiusEmpirical,
 	eRadiusEmpirical,
 	eRadiusCovalentEmpirical,
 	eRadiusCovalentEmpirical,
@@ -205,7 +206,7 @@ class AtomTypeTraits
 {
 {
   public:
   public:
 	AtomTypeTraits(AtomType a);
 	AtomTypeTraits(AtomType a);
-	AtomTypeTraits(const std::string& symbol);
+	AtomTypeTraits(const std::string &symbol);
 
 
 	AtomType type() const { return mInfo->type; }
 	AtomType type() const { return mInfo->type; }
 	std::string name() const { return mInfo->name; }
 	std::string name() const { return mInfo->name; }
@@ -214,8 +215,8 @@ class AtomTypeTraits
 
 
 	bool isMetal() const { return mInfo->metal; }
 	bool isMetal() const { return mInfo->metal; }
 
 
-	static bool isElement(const std::string& symbol);
-	static bool isMetal(const std::string& symbol);
+	static bool isElement(const std::string &symbol);
+	static bool isMetal(const std::string &symbol);
 
 
 	float radius(RadiusType type = eRadiusSingleBond) const
 	float radius(RadiusType type = eRadiusSingleBond) const
 	{
 	{
@@ -233,13 +234,16 @@ class AtomTypeTraits
 	};
 	};
 
 
 	// to get the Cval and Siva values, use this constant as charge:
 	// to get the Cval and Siva values, use this constant as charge:
-	enum { kWKSFVal = -99 };
+	enum
+	{
+		kWKSFVal = -99
+	};
 
 
-	const SFData& wksf(int charge = 0) const;
-	const SFData& elsf() const;
+	const SFData &wksf(int charge = 0) const;
+	const SFData &elsf() const;
 
 
   private:
   private:
-	const struct AtomTypeInfo*	mInfo;
+	const struct AtomTypeInfo *mInfo;
 };
 };
 
 
-}
+} // namespace mmcif

include/cif++/BondMap.hpp

@@ -26,9 +26,9 @@
 
 
 #pragma once
 #pragma once
 
 
-#include <unordered_map>
 #include <filesystem>
 #include <filesystem>
 #include <stdexcept>
 #include <stdexcept>
+#include <unordered_map>
 
 
 #include "cif++/Structure.hpp"
 #include "cif++/Structure.hpp"
 
 
@@ -38,24 +38,26 @@ namespace mmcif
 class BondMapException : public std::runtime_error
 class BondMapException : public std::runtime_error
 {
 {
   public:
   public:
-	BondMapException(const std::string& msg)
-		: runtime_error(msg) {}
+	BondMapException(const std::string &msg)
+		: runtime_error(msg)
+	{
+	}
 };
 };
 
 
 class BondMap
 class BondMap
 {
 {
   public:
   public:
-	BondMap(const Structure& p);
+	BondMap(const Structure &p);
 
 
-	BondMap(const BondMap&) = delete;
-	BondMap& operator=(const BondMap&) = delete;
+	BondMap(const BondMap &) = delete;
+	BondMap &operator=(const BondMap &) = delete;
 
 
-	bool operator()(const Atom& a, const Atom& b) const
+	bool operator()(const Atom &a, const Atom &b) const
 	{
 	{
 		return isBonded(index.at(a.id()), index.at(b.id()));
 		return isBonded(index.at(a.id()), index.at(b.id()));
 	}
 	}
 
 
-	bool is1_4(const Atom& a, const Atom& b) const
+	bool is1_4(const Atom &a, const Atom &b) const
 	{
 	{
 		uint32_t ixa = index.at(a.id());
 		uint32_t ixa = index.at(a.id());
 		uint32_t ixb = index.at(b.id());
 		uint32_t ixb = index.at(b.id());
@@ -64,13 +66,12 @@ class BondMap
 	}
 	}
 
 
 	// links coming from the struct_conn records:
 	// links coming from the struct_conn records:
-	std::vector<std::string> linked(const Atom& a) const;
+	std::vector<std::string> linked(const Atom &a) const;
 
 
 	// This list of atomID's is comming from either CCD or the CCP4 dictionaries loaded
 	// This list of atomID's is comming from either CCD or the CCP4 dictionaries loaded
-	static std::vector<std::string> atomIDsForCompound(const std::string& compoundID);
+	static std::vector<std::string> atomIDsForCompound(const std::string &compoundID);
 
 
   private:
   private:
-
 	bool isBonded(uint32_t ai, uint32_t bi) const
 	bool isBonded(uint32_t ai, uint32_t bi) const
 	{
 	{
 		return bond.count(key(ai, bi)) != 0;
 		return bond.count(key(ai, bi)) != 0;
@@ -83,19 +84,18 @@ class BondMap
 		return static_cast<uint64_t>(a) | (static_cast<uint64_t>(b) << 32);
 		return static_cast<uint64_t>(a) | (static_cast<uint64_t>(b) << 32);
 	}
 	}
 
 
-	std::tuple<uint32_t,uint32_t> dekey(uint64_t k) const
+	std::tuple<uint32_t, uint32_t> dekey(uint64_t k) const
 	{
 	{
 		return std::make_tuple(
 		return std::make_tuple(
 			static_cast<uint32_t>(k >> 32),
 			static_cast<uint32_t>(k >> 32),
-			static_cast<uint32_t>(k)
-		);
+			static_cast<uint32_t>(k));
 	}
 	}
 
 
 	uint32_t dim;
 	uint32_t dim;
-	std::unordered_map<std::string,uint32_t> index;
+	std::unordered_map<std::string, uint32_t> index;
 	std::set<uint64_t> bond, bond_1_4;
 	std::set<uint64_t> bond, bond_1_4;
 
 
-	std::map<std::string,std::set<std::string>> link;
+	std::map<std::string, std::set<std::string>> link;
 };
 };
 
 
-}
+} // namespace mmcif