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replaced some ints with unsigned ints

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This commit is contained in:
q-posev 2021-02-23 18:18:20 +01:00
parent 29b4e4d313
commit 92f6a8fa81
2 changed files with 16 additions and 16 deletions
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22
src/trio_text.c
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@ -82,7 +82,7 @@ nucleus_t* trio_text_read_nucleus(const trio_text_t* file) {
fscanf(f, "%s", buffer); fscanf(f, "%s", buffer);
assert (strcmp(buffer, "num") == 0); assert (strcmp(buffer, "num") == 0);
fscanf(f, "%ld", &(nucleus->num)); fscanf(f, "%lu", &(nucleus->num));
assert (nucleus->num > 0); assert (nucleus->num > 0);
/* Allocate arrays */ /* Allocate arrays */
@ -96,14 +96,14 @@ nucleus_t* trio_text_read_nucleus(const trio_text_t* file) {
fscanf(f, "%s", buffer); fscanf(f, "%s", buffer);
assert (strcmp(buffer, "charge") == 0); assert (strcmp(buffer, "charge") == 0);
for (int i=0 ; i<nucleus->num ; i++) { for (size_t i=0 ; i<nucleus->num ; i++) {
fscanf(f, "%lf", &(nucleus->charge[i])); fscanf(f, "%lf", &(nucleus->charge[i]));
} }
fscanf(f, "%s", buffer); fscanf(f, "%s", buffer);
assert (strcmp(buffer, "coord") == 0); assert (strcmp(buffer, "coord") == 0);
for (int i=0 ; i<3*nucleus->num ; i++) { for (size_t i=0 ; i<3*nucleus->num ; i++) {
fscanf(f, "%lf", &(nucleus->coord[i])); fscanf(f, "%lf", &(nucleus->coord[i]));
} }
free(buffer); free(buffer);
@ -123,12 +123,12 @@ trio_exit_code trio_text_write_nucleus(const trio_text_t* file, nucleus_t* nucle
/* Write arrays */ /* Write arrays */
fprintf(f, "charge\n"); fprintf(f, "charge\n");
for (int i=0 ; i<nucleus->num ; i++) { for (size_t i=0 ; i<nucleus->num ; i++) {
fprintf(f, "%lf\n", nucleus->charge[i]); fprintf(f, "%lf\n", nucleus->charge[i]);
} }
fprintf(f, "coord\n"); fprintf(f, "coord\n");
for (int i=0 ; i<3*nucleus->num ; i++) { for (size_t i=0 ; i<3*nucleus->num ; i++) {
fprintf(f, "%lf\n", nucleus->coord[i]); fprintf(f, "%lf\n", nucleus->coord[i]);
} }
@ -156,7 +156,7 @@ trio_exit_code trio_text_free_nucleus(nucleus_t* nucleus) {
return TRIO_SUCCESS; return TRIO_SUCCESS;
} }
trio_exit_code trio_text_read_nucleus_num(const trio_t* file, int64_t* num) { trio_exit_code trio_text_read_nucleus_num(const trio_t* file, uint64_t* num) {
assert (file != NULL); assert (file != NULL);
assert (num != NULL); assert (num != NULL);
@ -174,7 +174,7 @@ trio_exit_code trio_text_read_nucleus_num(const trio_t* file, int64_t* num) {
} }
trio_exit_code trio_text_write_nucleus_num(const trio_t* file, const int64_t num) { trio_exit_code trio_text_write_nucleus_num(const trio_t* file, const uint64_t num) {
assert (num > 0L); assert (num > 0L);
assert (file != NULL); assert (file != NULL);
@ -223,7 +223,7 @@ trio_exit_code trio_text_read_nucleus_coord(const trio_t* file, double* coord) {
assert (coord != NULL); assert (coord != NULL);
for (int i=0 ; i<3*nucleus->num ; i++) { for (size_t i=0 ; i<3*nucleus->num ; i++) {
coord[i] = nucleus->coord[i]; coord[i] = nucleus->coord[i];
} }
@ -240,7 +240,7 @@ trio_exit_code trio_text_write_nucleus_coord(const trio_t* file, const double* c
nucleus_t* nucleus = trio_text_read_nucleus((trio_text_t*) file); nucleus_t* nucleus = trio_text_read_nucleus((trio_text_t*) file);
assert (nucleus != NULL); assert (nucleus != NULL);
for (int i=0 ; i<3*nucleus->num ; i++) { for (size_t i=0 ; i<3*nucleus->num ; i++) {
nucleus->coord[i] = coord[i]; nucleus->coord[i] = coord[i];
} }
@ -264,7 +264,7 @@ trio_exit_code trio_text_read_nucleus_charge(const trio_t* file, double* charge)
assert (charge != NULL); assert (charge != NULL);
for (int i=0 ; i<nucleus->num ; i++) { for (size_t i=0 ; i<nucleus->num ; i++) {
charge[i] = nucleus->charge[i]; charge[i] = nucleus->charge[i];
} }
@ -281,7 +281,7 @@ trio_exit_code trio_text_write_nucleus_charge(const trio_t* file, const double*
nucleus_t* nucleus = trio_text_read_nucleus((trio_text_t*)file); nucleus_t* nucleus = trio_text_read_nucleus((trio_text_t*)file);
assert (nucleus != NULL); assert (nucleus != NULL);
for (int i=0 ; i<nucleus->num ; i++) { for (size_t i=0 ; i<nucleus->num ; i++) {
nucleus->charge[i] = charge[i]; nucleus->charge[i] = charge[i];
} }

10
src/trio_text.h
View File

@ -20,12 +20,12 @@
typedef struct nucleus_s { typedef struct nucleus_s {
double* coord; double* coord;
double* charge; double* charge;
int64_t num; uint64_t num;
} nucleus_t; } nucleus_t;
typedef struct electron_s { typedef struct electron_s {
int64_t alpha_num; uint64_t alpha_num;
int64_t beta_num; uint64_t beta_num;
} electron_t; } electron_t;
typedef struct trio_text_s { typedef struct trio_text_s {
@ -38,8 +38,8 @@ trio_exit_code trio_text_init(trio_t* file);
trio_exit_code trio_text_finalize(trio_t* file); trio_exit_code trio_text_finalize(trio_t* file);
trio_exit_code trio_text_read_nucleus_num(const trio_t* file, int64_t* num); trio_exit_code trio_text_read_nucleus_num(const trio_t* file, uint64_t* num);
trio_exit_code trio_text_write_nucleus_num(const trio_t* file, const int64_t num); trio_exit_code trio_text_write_nucleus_num(const trio_t* file, const uint64_t num);
trio_exit_code trio_text_read_nucleus_coord(const trio_t* file, double* coord); trio_exit_code trio_text_read_nucleus_coord(const trio_t* file, double* coord);
trio_exit_code trio_text_write_nucleus_coord(const trio_t* file, const double* coord); trio_exit_code trio_text_write_nucleus_coord(const trio_t* file, const double* coord);